CID 372048

Nsc646862

Structural Information

Molecular Formula
C14H18N8O6
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CCCNC(=O)C(=O)NCCCN2C=CN=C2[N+](=O)[O-]
InChI
InChI=1S/C14H18N8O6/c23-11(15-3-1-7-19-9-5-17-13(19)21(25)26)12(24)16-4-2-8-20-10-6-18-14(20)22(27)28/h5-6,9-10H,1-4,7-8H2,(H,15,23)(H,16,24)
InChIKey
AMJDUAYPEPOJCQ-UHFFFAOYSA-N
Compound name
N,N'-bis[3-(2-nitroimidazol-1-yl)propyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.13492 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14220 183.4
[M+Na]+ 417.12414 185.3
[M-H]- 393.12764 186.6
[M+NH4]+ 412.16874 189.4
[M+K]+ 433.09808 175.5
[M+H-H2O]+ 377.13218 181.0
[M+HCOO]- 439.13312 207.1
[M+CH3COO]- 453.14877 209.2
[M+Na-2H]- 415.10959 191.9
[M]+ 394.13437 181.7
[M]- 394.13547 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.