CID 3050480

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

Structural Information

Molecular Formula
C13H15N5O4
SMILES
CCC(=O)NC(=O)NCCN1C=NC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H15N5O4/c1-2-12(19)16-13(20)14-5-6-17-8-15-10-4-3-9(18(21)22)7-11(10)17/h3-4,7-8H,2,5-6H2,1H3,(H2,14,16,19,20)
InChIKey
WKVPUWYKBWHEIF-UHFFFAOYSA-N
Compound name
N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1124 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11968 164.7
[M+Na]+ 328.10162 174.1
[M+NH4]+ 323.14622 169.3
[M+K]+ 344.07556 174.7
[M-H]- 304.10512 165.7
[M+Na-2H]- 326.08707 168.0
[M]+ 305.11185 165.6
[M]- 305.11295 165.6
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.