CID 510479

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

Structural Information

Molecular Formula
C19H19F3N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(C3=C(C(=C(C=C3)F)F)F)C(=O)NC)N=C1N
InChI
InChI=1S/C19H19F3N4O3S/c1-9(2)30(28,29)26-14-8-10(4-7-13(14)25-19(26)23)15(18(27)24-3)11-5-6-12(20)17(22)16(11)21/h4-9,15H,1-3H3,(H2,23,25)(H,24,27)
InChIKey
LLFWGRMNCZUYFF-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-N-methyl-2-(2,3,4-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.113 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12028 198.9
[M+Na]+ 463.10222 208.8
[M-H]- 439.10572 201.2
[M+NH4]+ 458.14682 208.6
[M+K]+ 479.07616 202.9
[M+H-H2O]+ 423.11026 188.7
[M+HCOO]- 485.11120 210.4
[M+CH3COO]- 499.12685 234.3
[M+Na-2H]- 461.08767 196.3
[M]+ 440.11245 200.9
[M]- 440.11355 200.9
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.