CID 135499260

Nsc647270

Structural Information

Molecular Formula
C24H20N6O7
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C(\C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2O)/C(C4=CC=C(C=C4)[N+](=O)[O-])O
InChI
InChI=1S/C24H20N6O7/c31-20(12-14-4-2-1-3-5-14)27-28-21(23(32)15-6-8-16(9-7-15)29(34)35)22-24(33)26-19-13-17(30(36)37)10-11-18(19)25-22/h1-11,13,23-24,26,32-33H,12H2,(H,27,31)/b28-21+
InChIKey
OSMQTLIEDLTQMN-SGWCAAJKSA-N
Compound name
N-[(E)-[2-hydroxy-1-(3-hydroxy-6-nitro-3,4-dihydroquinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.13934 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14662 203.3
[M+Na]+ 527.12856 200.6
[M-H]- 503.13206 207.4
[M+NH4]+ 522.17316 202.0
[M+K]+ 543.10250 188.7
[M+H-H2O]+ 487.13660 199.6
[M+HCOO]- 549.13754 218.5
[M+CH3COO]- 563.15319 229.3
[M+Na-2H]- 525.11401 211.6
[M]+ 504.13879 195.3
[M]- 504.13989 195.3
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.