CID 510493

2-(2-amino-3-isopropyl-benzimidazol-5-yl)-2-(2,3-difluorophenyl)acetamide

Structural Information

Molecular Formula
C18H18F2N4O
SMILES
CC(C)N1C2=C(C=CC(=C2)C(C3=C(C(=CC=C3)F)F)C(=O)N)N=C1N
InChI
InChI=1S/C18H18F2N4O/c1-9(2)24-14-8-10(6-7-13(14)23-18(24)22)15(17(21)25)11-4-3-5-12(19)16(11)20/h3-9,15H,1-2H3,(H2,21,25)(H2,22,23)
InChIKey
ATEMDRGVHRVHGG-UHFFFAOYSA-N
Compound name
2-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2-(2,3-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.14487 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15215 180.5
[M+Na]+ 367.13409 189.8
[M-H]- 343.13759 183.4
[M+NH4]+ 362.17869 193.2
[M+K]+ 383.10803 184.0
[M+H-H2O]+ 327.14213 170.1
[M+HCOO]- 389.14307 198.9
[M+CH3COO]- 403.15872 220.7
[M+Na-2H]- 365.11954 178.6
[M]+ 344.14432 178.6
[M]- 344.14542 178.6
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.