CID 135521355

Nsc644731

Structural Information

Molecular Formula
C15H13N7O5
SMILES
C1=COC(=C1)C(/C(=N/N=C(N)N)/C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O
InChI
InChI=1S/C15H13N7O5/c16-15(17)21-20-11(13(23)10-2-1-5-27-10)12-14(24)19-9-6-7(22(25)26)3-4-8(9)18-12/h1-6,13,23H,(H,19,24)(H4,16,17,21)/b20-11+
InChIKey
GOKLMCLPXMCDON-RGVLZGJSSA-N
Compound name
2-[(E)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0978 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10508 175.3
[M+Na]+ 394.08702 179.6
[M-H]- 370.09052 181.3
[M+NH4]+ 389.13162 182.7
[M+K]+ 410.06096 173.6
[M+H-H2O]+ 354.09506 169.7
[M+HCOO]- 416.09600 199.3
[M+CH3COO]- 430.11165 217.4
[M+Na-2H]- 392.07247 183.1
[M]+ 371.09725 172.2
[M]- 371.09835 172.2
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.