CID 3042280

Urea, 1-(2-(1-benzimidazolyl)ethyl)-3-hexanoyl-, hydrochloride

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CCCCCC(=O)NC(=O)NCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C16H22N4O2/c1-2-3-4-9-15(21)19-16(22)17-10-11-20-12-18-13-7-5-6-8-14(13)20/h5-8,12H,2-4,9-11H2,1H3,(H2,17,19,21,22)
InChIKey
AZNOTVRBAUUWHX-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 172.2
[M+Na]+ 325.16352 178.0
[M-H]- 301.16702 173.8
[M+NH4]+ 320.20812 186.8
[M+K]+ 341.13746 174.3
[M+H-H2O]+ 285.17156 163.1
[M+HCOO]- 347.17250 194.8
[M+CH3COO]- 361.18815 208.0
[M+Na-2H]- 323.14897 176.3
[M]+ 302.17375 175.4
[M]- 302.17485 175.4
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.