CID 369472

Nsc641242

Structural Information

Molecular Formula
C26H17N3O7
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C26H17N3O7/c30-22(14-24(32)26(34)27-15-6-5-7-16(12-15)29(35)36)19-10-3-4-11-20(19)28-21-13-23(31)25(33)18-9-2-1-8-17(18)21/h1-13,28H,14H2,(H,27,34)
InChIKey
PUXUSCGZHRZRQN-UHFFFAOYSA-N
Compound name
4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-N-(3-nitrophenyl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.10666 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.11394 208.5
[M+Na]+ 506.09588 210.1
[M-H]- 482.09938 217.9
[M+NH4]+ 501.14048 213.2
[M+K]+ 522.06982 202.8
[M+H-H2O]+ 466.10392 201.3
[M+HCOO]- 528.10486 229.0
[M+CH3COO]- 542.12051 237.9
[M+Na-2H]- 504.08133 211.7
[M]+ 483.10611 206.6
[M]- 483.10721 206.6
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.