CID 510484

2-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide

Structural Information

Molecular Formula
C18H17F3N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=C(C(=C(C=C3)F)F)F)C(=O)N)N=C1N
InChI
InChI=1S/C18H17F3N4O3S/c1-8(2)29(27,28)25-13-7-9(3-6-12(13)24-18(25)23)14(17(22)26)10-4-5-11(19)16(21)15(10)20/h3-8,14H,1-2H3,(H2,22,26)(H2,23,24)
InChIKey
UVNNIIYPBGHWTB-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2-(2,3,4-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.09735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10463 194.7
[M+Na]+ 449.08657 204.9
[M-H]- 425.09007 196.6
[M+NH4]+ 444.13117 204.6
[M+K]+ 465.06051 198.9
[M+H-H2O]+ 409.09461 184.7
[M+HCOO]- 471.09555 205.8
[M+CH3COO]- 485.11120 231.6
[M+Na-2H]- 447.07202 191.5
[M]+ 426.09680 195.5
[M]- 426.09790 195.5
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.