CID 510480

2-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)acetamide

Structural Information

Molecular Formula
C19H21FN4O4S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=CC(=C(C=C3)OC)F)C(=O)N)N=C1N
InChI
InChI=1S/C19H21FN4O4S/c1-10(2)29(26,27)24-15-9-12(4-6-14(15)23-19(24)22)17(18(21)25)11-5-7-16(28-3)13(20)8-11/h4-10,17H,1-3H3,(H2,21,25)(H2,22,23)
InChIKey
JAZOLGFEOCHSBX-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.12674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13402 196.8
[M+Na]+ 443.11596 205.4
[M-H]- 419.11946 200.9
[M+NH4]+ 438.16056 206.7
[M+K]+ 459.08990 200.9
[M+H-H2O]+ 403.12400 188.2
[M+HCOO]- 465.12494 210.0
[M+CH3COO]- 479.14059 230.2
[M+Na-2H]- 441.10141 195.3
[M]+ 420.12619 200.9
[M]- 420.12729 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.