CID 3042276

Brn 0931068

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]+ 289.16591 167.7
[M+Na]+ 311.14785 173.9
[M-H]- 287.15135 169.5
[M+NH4]+ 306.19245 182.9
[M+K]+ 327.12179 170.5
[M+H-H2O]+ 271.15589 158.8
[M+HCOO]- 333.15683 190.6
[M+CH3COO]- 347.17248 205.0
[M+Na-2H]- 309.13330 172.4
[M]+ 288.15808 170.6
[M]- 288.15918 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.