CID 225773

3-(2-methyl-1h-1,3-benzodiazol-1-yl)propanamide

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC1=NC2=CC=CC=C2N1CCC(=O)N
InChI
InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)
InChIKey
HZTUIHZIQKFSIL-UHFFFAOYSA-N
Compound name
3-(2-methylbenzimidazol-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.8
[M+Na]+ 226.095088 153.8
[M-H]- 202.098594 146.0
[M+NH4]+ 221.139693 163.0
[M+K]+ 242.069028 150.3
[M+H-H2O]+ 186.103130 136.5
[M+HCOO]- 248.104071 167.1
[M+CH3COO]- 262.119721 188.3
[M+Na-2H]- 224.080536 149.4
[M]+ 203.10532142 145.7
[M]- 203.10641858 145.7
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.