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 181.3
[M+NH4]+ 320.20812 177.6
[M+K]+ 341.13746 177.3
[M-H]- 301.16702 172.6
[M+Na-2H]- 323.14897 176.0
[M]+ 302.17375 173.1
[M]- 302.17485 173.1
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.