CID 3050479

Butanamide, n-(((2-(6-nitro-1h-benzimidazol-1-yl)ethyl)amino)carbonyl)-

Structural Information

Molecular Formula
C14H17N5O4
SMILES
CCCC(=O)NC(=O)NCCN1C=NC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H17N5O4/c1-2-3-13(20)17-14(21)15-6-7-18-9-16-11-5-4-10(19(22)23)8-12(11)18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,17,20,21)
InChIKey
QVMVKVNEGMDIPM-UHFFFAOYSA-N
Compound name
N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12805 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13533 169.1
[M+Na]+ 342.11727 178.4
[M+NH4]+ 337.16187 173.5
[M+K]+ 358.09121 178.7
[M-H]- 318.12077 170.1
[M+Na-2H]- 340.10272 172.2
[M]+ 319.12750 170.0
[M]- 319.12860 170.0
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.