PubChemLite - Schembl2839011 (C24H21FN2O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC4CC4)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C24H21FN2O4/c1-12-21(13(2)31-27-12)17-11-20-18(10-19(17)29-3)22(24(28)26-16-8-9-16)23(30-20)14-4-6-15(25)7-5-14/h4-7,10-11,16H,8-9H2,1-3H3,(H,26,28)

InChIKey

ZTDYKMFNPBQTSD-UHFFFAOYSA-N

Compound name

N-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxamide

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]+	421.15581	193.4
[M+Na]+	443.13775	205.6
[M-H]-	419.14125	207.9
[M+NH4]+	438.18235	199.9
[M+K]+	459.11169	201.4
[M+H-H2O]+	403.14579	185.6
[M+HCOO]-	465.14673	214.8
[M+CH3COO]-	479.16238	204.9
[M+Na-2H]-	441.12320	192.6
[M]+	420.14798	203.2
[M]-	420.14908	203.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

421.15581

193.4

[M+Na]+

443.13775

205.6

[M-H]-

419.14125

207.9

[M+NH4]+

438.18235

199.9

[M+K]+

459.11169

201.4

[M+H-H2O]+

403.14579

185.6

[M+HCOO]-

465.14673

214.8

[M+CH3COO]-

479.16238

204.9

[M+Na-2H]-

441.12320

192.6

[M]+

420.14798

203.2

[M]-

420.14908

203.2

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

Schembl2839011

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe