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]+ 275.15025 163.1
[M+Na]+ 297.13219 172.3
[M+NH4]+ 292.17679 168.7
[M+K]+ 313.10613 169.5
[M-H]- 273.13569 163.4
[M+Na-2H]- 295.11764 167.1
[M]+ 274.14242 164.0
[M]- 274.14352 164.0
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.