CID 510474

2-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-n-methyl-2-phenyl-acetamide

Structural Information

Molecular Formula
C19H22N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=CC=CC=C3)C(=O)NC)N=C1N
InChI
InChI=1S/C19H22N4O3S/c1-12(2)27(25,26)23-16-11-14(9-10-15(16)22-19(23)20)17(18(24)21-3)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H2,20,22)(H,21,24)
InChIKey
NETAFEKXPVQAKU-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-N-methyl-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.14127 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14855 190.9
[M+Na]+ 409.13049 198.4
[M-H]- 385.13399 196.4
[M+NH4]+ 404.17509 202.3
[M+K]+ 425.10443 193.8
[M+H-H2O]+ 369.13853 182.9
[M+HCOO]- 431.13947 205.8
[M+CH3COO]- 445.15512 222.5
[M+Na-2H]- 407.11594 191.9
[M]+ 386.14072 194.8
[M]- 386.14182 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.