PubChemLite - Chembl63158 (C24H25N5O4)

Structural Information

Molecular Formula

SMILES

CN(C)CC(=O)N(C)C1=CC=CC=C1C2=CN=C(O2)NC3=CC(=C(C=C3)C4=CN=CO4)OC

InChI

InChI=1S/C24H25N5O4/c1-28(2)14-23(30)29(3)19-8-6-5-7-17(19)22-13-26-24(33-22)27-16-9-10-18(20(11-16)31-4)21-12-25-15-32-21/h5-13,15H,14H2,1-4H3,(H,26,27)

InChIKey

PGIBPNJYIYEHKG-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-N-methylacetamide

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]+	448.19792	208.6
[M+Na]+	470.17986	214.4
[M-H]-	446.18336	224.3
[M+NH4]+	465.22446	215.4
[M+K]+	486.15380	214.6
[M+H-H2O]+	430.18790	197.4
[M+HCOO]-	492.18884	234.2
[M+CH3COO]-	506.20449	242.8
[M+Na-2H]-	468.16531	209.0
[M]+	447.19009	217.2
[M]-	447.19119	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

448.19792

208.6

[M+Na]+

470.17986

214.4

[M-H]-

446.18336

224.3

[M+NH4]+

465.22446

215.4

[M+K]+

486.15380

214.6

[M+H-H2O]+

430.18790

197.4

[M+HCOO]-

492.18884

234.2

[M+CH3COO]-

506.20449

242.8

[M+Na-2H]-

468.16531

209.0

[M]+

447.19009

217.2

[M]-

447.19119

217.2

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

Chembl63158

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe