CID 510492

2-(2-amino-1-isopropyl-1h-benzimidazol-6-yl)-2-(2,3-difluorophenyl)-n-methylacetamide

Structural Information

Molecular Formula
C19H20F2N4O
SMILES
CC(C)N1C2=C(C=CC(=C2)C(C3=C(C(=CC=C3)F)F)C(=O)NC)N=C1N
InChI
InChI=1S/C19H20F2N4O/c1-10(2)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
UPUWLYNAMURBNX-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2-(2,3-difluorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.16052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16780 184.9
[M+Na]+ 381.14974 193.8
[M-H]- 357.15324 188.1
[M+NH4]+ 376.19434 197.4
[M+K]+ 397.12368 188.1
[M+H-H2O]+ 341.15778 174.2
[M+HCOO]- 403.15872 203.5
[M+CH3COO]- 417.17437 223.4
[M+Na-2H]- 379.13519 183.5
[M]+ 358.15997 184.2
[M]- 358.16107 184.2
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.