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 174.0
[M+Na]+ 356.13292 179.0
[M-H]- 332.13642 176.2
[M+NH4]+ 351.17752 186.3
[M+K]+ 372.10686 172.1
[M+H-H2O]+ 316.14096 169.6
[M+HCOO]- 378.14190 197.8
[M+CH3COO]- 392.15755 207.0
[M+Na-2H]- 354.11837 180.5
[M]+ 333.14315 175.5
[M]- 333.14425 175.5
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.