CID 949147

500269-41-0

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC(C)C(=O)NCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C12H15N3O/c1-8(2)12(16)13-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKey
KBFKODIOYYFXAF-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

217.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 149.0
[M+Na]+ 240.11072 156.9
[M-H]- 216.11422 149.9
[M+NH4]+ 235.15532 166.8
[M+K]+ 256.08466 153.1
[M+H-H2O]+ 200.11876 141.5
[M+HCOO]- 262.11970 170.0
[M+CH3COO]- 276.13535 188.5
[M+Na-2H]- 238.09617 154.1
[M]+ 217.12095 149.2
[M]- 217.12205 149.2
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

patents stripe