CID 510478

2-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-n-methyl-2-(1-naphthyl)acetamide

Structural Information

Molecular Formula
C23H24N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=CC=CC4=CC=CC=C43)C(=O)NC)N=C1N
InChI
InChI=1S/C23H24N4O3S/c1-14(2)31(29,30)27-20-13-16(11-12-19(20)26-23(27)24)21(22(28)25-3)18-10-6-8-15-7-4-5-9-17(15)18/h4-14,21H,1-3H3,(H2,24,26)(H,25,28)
InChIKey
ILWHYBIQUZLPGO-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-N-methyl-2-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.15692 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16420 203.8
[M+Na]+ 459.14614 211.4
[M-H]- 435.14964 210.0
[M+NH4]+ 454.19074 214.0
[M+K]+ 475.12008 206.0
[M+H-H2O]+ 419.15418 195.7
[M+HCOO]- 481.15512 217.0
[M+CH3COO]- 495.17077 233.5
[M+Na-2H]- 457.13159 205.8
[M]+ 436.15637 208.4
[M]- 436.15747 208.4
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.