CID 510475

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

Structural Information

Molecular Formula
C19H20F2N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=C(C(=CC=C3)F)F)C(=O)NC)N=C1N
InChI
InChI=1S/C19H20F2N4O3S/c1-10(2)29(27,28)25-15-9-11(7-8-14(15)24-19(25)22)16(18(26)23-3)12-5-4-6-13(20)17(12)21/h4-10,16H,1-3H3,(H2,22,24)(H,23,26)
InChIKey
MYFOQNMRGPFFCI-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-(2,3-difluorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.1224 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12968 196.2
[M+Na]+ 445.11162 205.4
[M-H]- 421.11512 199.6
[M+NH4]+ 440.15622 206.5
[M+K]+ 461.08556 199.9
[M+H-H2O]+ 405.11966 186.8
[M+HCOO]- 467.12060 208.8
[M+CH3COO]- 481.13625 230.4
[M+Na-2H]- 443.09707 194.8
[M]+ 422.12185 198.9
[M]- 422.12295 198.9
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.