CID 39871077

N-(2-butyl-1h-1,3-benzodiazol-5-yl)acetamide

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCCCC1=NC2=C(N1)C=C(C=C2)NC(=O)C
InChI
InChI=1S/C13H17N3O/c1-3-4-5-13-15-11-7-6-10(14-9(2)17)8-12(11)16-13/h6-8H,3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKey
PJQFKAXVABNTKU-UHFFFAOYSA-N
Compound name
N-(2-butyl-3H-benzimidazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 153.3
[M+Na]+ 254.12638 162.0
[M-H]- 230.12988 154.3
[M+NH4]+ 249.17098 170.9
[M+K]+ 270.10032 157.4
[M+H-H2O]+ 214.13442 145.8
[M+HCOO]- 276.13536 175.0
[M+CH3COO]- 290.15101 191.8
[M+Na-2H]- 252.11183 158.3
[M]+ 231.13661 154.9
[M]- 231.13771 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.