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]+ 303.181576 172.2
[M+Na]+ 325.163518 178.0
[M-H]- 301.167024 173.8
[M+NH4]+ 320.208123 186.8
[M+K]+ 341.137458 174.3
[M+H-H2O]+ 285.171560 163.1
[M+HCOO]- 347.172501 194.8
[M+CH3COO]- 361.188151 208.0
[M+Na-2H]- 323.148966 176.3
[M]+ 302.17375142 175.4
[M]- 302.17484858 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.