CID 135521351

Nsc642643

Structural Information

Molecular Formula
C20H19N5O8
SMILES
COC1=C(C=C(C=C1)C(/C(=N/NC(=O)OC)/C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)OC
InChI
InChI=1S/C20H19N5O8/c1-31-14-7-4-10(8-15(14)32-2)18(26)16(23-24-20(28)33-3)17-19(27)22-13-9-11(25(29)30)5-6-12(13)21-17/h4-9,18,26H,1-3H3,(H,22,27)(H,24,28)/b23-16+
InChIKey
DZAKCAVQLVTMAU-XQNSMLJCSA-N
Compound name
methyl N-[(E)-[2-(3,4-dimethoxyphenyl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.12335 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.13063 197.6
[M+Na]+ 480.11257 200.9
[M-H]- 456.11607 201.6
[M+NH4]+ 475.15717 201.3
[M+K]+ 496.08651 195.3
[M+H-H2O]+ 440.12061 191.1
[M+HCOO]- 502.12155 216.6
[M+CH3COO]- 516.13720 229.3
[M+Na-2H]- 478.09802 203.5
[M]+ 457.12280 199.5
[M]- 457.12390 199.5
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.