CID 31106

N-(2-(1-benzimidazolyl)ethyl)-3-methyl-butyramide oxalate

Structural Information

Molecular Formula
C14H20N3O
SMILES
CC(C)CC(=O)NCC[N+]1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H19N3O/c1-11(2)9-14(18)15-7-8-17-10-16-12-5-3-4-6-13(12)17/h3-6,10-11H,7-9H2,1-2H3,(H,15,18)/p+1
InChIKey
DYOLVLIBPXXSLX-UHFFFAOYSA-O
Compound name
N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16064 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16792 155.1
[M+Na]+ 269.14986 167.9
[M+NH4]+ 264.19446 163.1
[M+K]+ 285.12380 164.3
[M-H]- 245.15336 157.4
[M+Na-2H]- 267.13531 160.9
[M]+ 246.16009 157.7
[M]- 246.16119 157.7
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.