PubChemLite - N-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide (C25H24N4O4S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2CC2)NC3=NC=C(O3)C4=CC=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H24N4O4S/c1-32-23-10-9-21(34(30,31)28-14-17-7-8-17)13-22(23)29-25-27-16-24(33-25)19-5-2-4-18(12-19)20-6-3-11-26-15-20/h2-6,9-13,15-17,28H,7-8,14H2,1H3,(H,27,29)

InChIKey

KRGKAARWVPUWSY-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-4-methoxy-3-[[5-(3-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]amino]benzenesulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	477.15910	205.2
[M+Na]+	499.14104	213.4
[M-H]-	475.14454	219.2
[M+NH4]+	494.18564	205.8
[M+K]+	515.11498	207.6
[M+H-H2O]+	459.14908	195.7
[M+HCOO]-	521.15002	223.3
[M+CH3COO]-	535.16567	213.6
[M+Na-2H]-	497.12649	208.4
[M]+	476.15127	211.8
[M]-	476.15237	211.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.15910

205.2

[M+Na]+

499.14104

213.4

[M-H]-

475.14454

219.2

[M+NH4]+

494.18564

205.8

[M+K]+

515.11498

207.6

[M+H-H2O]+

459.14908

195.7

[M+HCOO]-

521.15002

223.3

[M+CH3COO]-

535.16567

213.6

[M+Na-2H]-

497.12649

208.4

[M]+

476.15127

211.8

[M]-

476.15237

211.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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