PubChemLite - Odm-203 (C26H21F2N5O2S)

Structural Information

Molecular Formula

SMILES

CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC(=C4)NS(=O)(=O)C5CC5)C6=C(C=C(C=C6)F)F

InChI

InChI=1S/C26H21F2N5O2S/c1-32-14-18(13-30-32)16-2-7-26-25(10-16)29-15-33(26)21-9-17(23-6-3-19(27)11-24(23)28)8-20(12-21)31-36(34,35)22-4-5-22/h2-3,6-15,22,31H,4-5H2,1H3

InChIKey

ZJFCBQXPTQSTCZ-UHFFFAOYSA-N

Compound name

N-[3-(2,4-difluorophenyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]cyclopropanesulfonamide

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]+	506.14568	216.3
[M+Na]+	528.12762	229.6
[M-H]-	504.13112	227.3
[M+NH4]+	523.17222	218.4
[M+K]+	544.10156	219.2
[M+H-H2O]+	488.13566	206.2
[M+HCOO]-	550.13660	230.7
[M+CH3COO]-	564.15225	224.4
[M+Na-2H]-	526.11307	214.2
[M]+	505.13785	222.3
[M]-	505.13895	222.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.14568

216.3

[M+Na]+

528.12762

229.6

[M-H]-

504.13112

227.3

[M+NH4]+

523.17222

218.4

[M+K]+

544.10156

219.2

[M+H-H2O]+

488.13566

206.2

[M+HCOO]-

550.13660

230.7

[M+CH3COO]-

564.15225

224.4

[M+Na-2H]-

526.11307

214.2

[M]+

505.13785

222.3

[M]-

505.13895

222.3

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

Odm-203

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe