CID 510470

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

Structural Information

Molecular Formula
C18H20N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=CC=CC=C3)C(=O)N)N=C1N
InChI
InChI=1S/C18H20N4O3S/c1-11(2)26(24,25)22-15-10-13(8-9-14(15)21-18(22)20)16(17(19)23)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H2,19,23)(H2,20,21)
InChIKey
NLRIVKKABTVMPG-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13288 186.6
[M+Na]+ 395.11482 194.5
[M-H]- 371.11832 191.7
[M+NH4]+ 390.15942 198.2
[M+K]+ 411.08876 189.7
[M+H-H2O]+ 355.12286 178.9
[M+HCOO]- 417.12380 201.2
[M+CH3COO]- 431.13945 219.8
[M+Na-2H]- 393.10027 187.1
[M]+ 372.12505 189.3
[M]- 372.12615 189.3
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.