CID 3050481

N-(((2-(6-nitro-1h-benzimidazol-1-yl)ethyl)amino)carbonyl)pentanamide

Structural Information

Molecular Formula
C15H19N5O4
SMILES
CCCCC(=O)NC(=O)NCCN1C=NC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H19N5O4/c1-2-3-4-14(21)18-15(22)16-7-8-19-10-17-12-6-5-11(20(23)24)9-13(12)19/h5-6,9-10H,2-4,7-8H2,1H3,(H2,16,18,21,22)
InChIKey
QHMAWZUYSNXUJM-UHFFFAOYSA-N
Compound name
N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1437 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15098 173.5
[M+Na]+ 356.13292 182.6
[M+NH4]+ 351.17752 177.8
[M+K]+ 372.10686 182.7
[M-H]- 332.13642 174.5
[M+Na-2H]- 354.11837 176.3
[M]+ 333.14315 174.4
[M]- 333.14425 174.4
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.