CID 56842330

85650-62-0

Structural Information

Molecular Formula
C28H22N4O10
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])OC)NC(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]
InChI
InChI=1S/C28H22N4O10/c1-41-25-13-15(3-7-19(25)29-27(35)17-5-9-23(33)21(11-17)31(37)38)16-4-8-20(26(14-16)42-2)30-28(36)18-6-10-24(34)22(12-18)32(39)40/h3-14,33-34H,1-2H3,(H,29,35)(H,30,36)
InChIKey
NSOJHZNYFZPPGB-UHFFFAOYSA-N
Compound name
4-hydroxy-N-[4-[4-[(4-hydroxy-3-nitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.1336 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.14088 228.9
[M+Na]+ 597.12282 227.4
[M-H]- 573.12632 238.1
[M+NH4]+ 592.16742 226.5
[M+K]+ 613.09676 217.9
[M+H-H2O]+ 557.13086 223.8
[M+HCOO]- 619.13180 248.3
[M+CH3COO]- 633.14745 244.2
[M+Na-2H]- 595.10827 232.6
[M]+ 574.13305 226.8
[M]- 574.13415 226.8
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.