CID 3042274

Brn 0928242

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CCC(=O)NC(=O)NCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C13H16N4O2/c1-2-12(18)16-13(19)14-7-8-17-9-15-10-5-3-4-6-11(10)17/h3-6,9H,2,7-8H2,1H3,(H2,14,16,18,19)
InChIKey
JFVAUMSCQOAXNR-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 158.9
[M+Na]+ 283.11654 168.6
[M+NH4]+ 278.16114 164.8
[M+K]+ 299.09048 165.2
[M-H]- 259.12004 159.4
[M+Na-2H]- 281.10199 163.4
[M]+ 260.12677 159.9
[M]- 260.12787 159.9
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.