CID 751089

N-(1h-1,3-benzodiazol-2-ylmethyl)butanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.3
[M+Na]+ 240.11072 156.5
[M-H]- 216.11422 149.1
[M+NH4]+ 235.15532 166.2
[M+K]+ 256.08466 152.3
[M+H-H2O]+ 200.11876 140.7
[M+HCOO]- 262.11970 170.4
[M+CH3COO]- 276.13535 187.6
[M+Na-2H]- 238.09617 154.7
[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