CID 3042281

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

Structural Information

Molecular Formula
C17H16N4O2
SMILES
C1=CC=C(C=C1)C(=O)NC(=O)NCCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C17H16N4O2/c22-16(13-6-2-1-3-7-13)20-17(23)18-10-11-21-12-19-14-8-4-5-9-15(14)21/h1-9,12H,10-11H2,(H2,18,20,22,23)
InChIKey
JNBPABMQIYHZDU-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.134596 169.5
[M+Na]+ 331.116538 176.1
[M-H]- 307.120044 174.8
[M+NH4]+ 326.161143 183.3
[M+K]+ 347.090478 171.5
[M+H-H2O]+ 291.124580 159.8
[M+HCOO]- 353.125521 193.2
[M+CH3COO]- 367.141171 207.0
[M+Na-2H]- 329.101986 175.8
[M]+ 308.12677142 170.6
[M]- 308.12786858 170.6
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.