CID 135483902

Nsc641601

Structural Information

Molecular Formula
C22H15N7O7
SMILES
C1=CC(=CC=C1C(/C(=N/NC(=O)C2=CC=NC=C2)/C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O)[N+](=O)[O-]
InChI
InChI=1S/C22H15N7O7/c30-20(12-1-3-14(4-2-12)28(33)34)18(26-27-21(31)13-7-9-23-10-8-13)19-22(32)25-17-11-15(29(35)36)5-6-16(17)24-19/h1-11,20,30H,(H,25,32)(H,27,31)/b26-18+
InChIKey
NRXNHUUMJUALEI-NLRVBDNBSA-N
Compound name
N-[(E)-[2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1033 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.11058 198.6
[M+Na]+ 512.09252 198.2
[M-H]- 488.09602 203.7
[M+NH4]+ 507.13712 197.3
[M+K]+ 528.06646 186.1
[M+H-H2O]+ 472.10056 194.2
[M+HCOO]- 534.10150 215.9
[M+CH3COO]- 548.11715 227.4
[M+Na-2H]- 510.07797 209.6
[M]+ 489.10275 192.4
[M]- 489.10385 192.4
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.