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]+ 232.144436 153.3
[M+Na]+ 254.126378 162.0
[M-H]- 230.129884 154.3
[M+NH4]+ 249.170983 170.9
[M+K]+ 270.100318 157.4
[M+H-H2O]+ 214.134420 145.8
[M+HCOO]- 276.135361 175.0
[M+CH3COO]- 290.151011 191.8
[M+Na-2H]- 252.111826 158.3
[M]+ 231.13661142 154.9
[M]- 231.13770858 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.