CID 3042277

1-(2-isobutyrylureidoethyl)benzimidazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.150246 163.8
[M+Na]+ 297.132188 170.3
[M-H]- 273.135694 166.0
[M+NH4]+ 292.176793 179.5
[M+K]+ 313.106128 167.6
[M+H-H2O]+ 257.140230 155.4
[M+HCOO]- 319.141171 186.2
[M+CH3COO]- 333.156821 202.9
[M+Na-2H]- 295.117636 167.9
[M]+ 274.14242142 165.8
[M]- 274.14351858 165.8
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.