CID 51056321

2-hydroxy-n-{4-[(2-hydroxy-5-nitrobenzoyl)amino]phenyl}-5-nitrobenzamide

Structural Information

Molecular Formula
C20H14N4O8
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H14N4O8/c25-17-7-5-13(23(29)30)9-15(17)19(27)21-11-1-2-12(4-3-11)22-20(28)16-10-14(24(31)32)6-8-18(16)26/h1-10,25-26H,(H,21,27)(H,22,28)
InChIKey
PMVDLQNBBYTGBU-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[4-[(2-hydroxy-5-nitrobenzoyl)amino]phenyl]-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.08118 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.08846 192.9
[M+Na]+ 461.07040 193.6
[M-H]- 437.07390 199.6
[M+NH4]+ 456.11500 196.6
[M+K]+ 477.04434 182.7
[M+H-H2O]+ 421.07844 190.8
[M+HCOO]- 483.07938 214.7
[M+CH3COO]- 497.09503 216.7
[M+Na-2H]- 459.05585 198.9
[M]+ 438.08063 187.7
[M]- 438.08173 187.7
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.