CID 457628

4-[(1,4-naphthoquinone-2-yl)amino]benzenesulfonic acid, (2- hydroxybenzoyl)hydrazide

Structural Information

Molecular Formula
C23H17N3O6S
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)NNC(=O)C4=CC=CC=C4O
InChI
InChI=1S/C23H17N3O6S/c27-20-8-4-3-7-18(20)23(30)25-26-33(31,32)15-11-9-14(10-12-15)24-19-13-21(28)16-5-1-2-6-17(16)22(19)29/h1-13,24,26-27H,(H,25,30)
InChIKey
QQENJMSZQJLHDP-UHFFFAOYSA-N
Compound name
N'-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonyl-2-hydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.0838 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.09108 202.1
[M+Na]+ 486.07302 207.4
[M-H]- 462.07652 210.9
[M+NH4]+ 481.11762 209.1
[M+K]+ 502.04696 202.3
[M+H-H2O]+ 446.08106 192.4
[M+HCOO]- 508.08200 218.5
[M+CH3COO]- 522.09765 236.7
[M+Na-2H]- 484.05847 207.8
[M]+ 463.08325 203.1
[M]- 463.08435 203.1
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.