CID 3042278

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

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CC(C)(C)C(=O)NC(=O)NCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C15H20N4O2/c1-15(2,3)13(20)18-14(21)16-8-9-19-10-17-11-6-4-5-7-12(11)19/h4-7,10H,8-9H2,1-3H3,(H2,16,18,20,21)
InChIKey
OLYZIPXGZKCQEW-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15863 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.165906 169.1
[M+Na]+ 311.147848 175.9
[M-H]- 287.151354 171.4
[M+NH4]+ 306.192453 184.6
[M+K]+ 327.121788 173.0
[M+H-H2O]+ 271.155890 161.2
[M+HCOO]- 333.156831 190.5
[M+CH3COO]- 347.172481 204.7
[M+Na-2H]- 309.133296 174.7
[M]+ 288.15808142 171.5
[M]- 288.15917858 171.5
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.