CID 3042275

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

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CCCC(=O)NC(=O)NCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C14H18N4O2/c1-2-5-13(19)17-14(20)15-8-9-18-10-16-11-6-3-4-7-12(11)18/h3-4,6-7,10H,2,5,8-9H2,1H3,(H2,15,17,19,20)
InChIKey
LUJLOWHBOZTRNP-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.150246 163.1
[M+Na]+ 297.132188 169.8
[M-H]- 273.135694 165.1
[M+NH4]+ 292.176793 178.9
[M+K]+ 313.106128 166.6
[M+H-H2O]+ 257.140230 154.5
[M+HCOO]- 319.141171 186.5
[M+CH3COO]- 333.156821 202.0
[M+Na-2H]- 295.117636 168.3
[M]+ 274.14242142 165.7
[M]- 274.14351858 165.7
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.