CID 3042274

Urea, 1-(2-(1-benzimidazolyl)ethyl)-3-propionyl-

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]+ 261.134596 158.6
[M+Na]+ 283.116538 165.8
[M-H]- 259.120044 160.8
[M+NH4]+ 278.161143 174.9
[M+K]+ 299.090478 162.7
[M+H-H2O]+ 243.124580 150.2
[M+HCOO]- 305.125521 182.3
[M+CH3COO]- 319.141171 199.0
[M+Na-2H]- 281.101986 164.3
[M]+ 260.12677142 160.8
[M]- 260.12786858 160.8
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.