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]+ 204.11315 143.8
[M+Na]+ 226.09509 153.8
[M-H]- 202.09859 146.0
[M+NH4]+ 221.13969 163.0
[M+K]+ 242.06903 150.3
[M+H-H2O]+ 186.10313 136.5
[M+HCOO]- 248.10407 167.1
[M+CH3COO]- 262.11972 188.3
[M+Na-2H]- 224.08054 149.4
[M]+ 203.10532 145.7
[M]- 203.10642 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.