CID 3042276

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

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCCCC(=O)NC(=O)NCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C15H20N4O2/c1-2-3-8-14(20)18-15(21)16-9-10-19-11-17-12-6-4-5-7-13(12)19/h4-7,11H,2-3,8-10H2,1H3,(H2,16,18,20,21)
InChIKey
MZCNGDIYHYGTIT-UHFFFAOYSA-N
Compound name
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]pentanamide
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 167.7
[M+Na]+ 311.147848 173.9
[M-H]- 287.151354 169.5
[M+NH4]+ 306.192453 182.9
[M+K]+ 327.121788 170.5
[M+H-H2O]+ 271.155890 158.8
[M+HCOO]- 333.156831 190.6
[M+CH3COO]- 347.172481 205.0
[M+Na-2H]- 309.133296 172.4
[M]+ 288.15808142 170.6
[M]- 288.15917858 170.6
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.