CID 457627

N'-[4-[(1,4-dioxo-2-naphthyl)amino]phenyl]sulfonylbenzohydrazide

Structural Information

Molecular Formula
C23H17N3O5S
SMILES
C1=CC=C(C=C1)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC3=CC(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H17N3O5S/c27-21-14-20(22(28)19-9-5-4-8-18(19)21)24-16-10-12-17(13-11-16)32(30,31)26-25-23(29)15-6-2-1-3-7-15/h1-14,24,26H,(H,25,29)
InChIKey
LGNHHTHKQPMKBV-UHFFFAOYSA-N
Compound name
N'-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.0889 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.09618 199.8
[M+Na]+ 470.07812 205.1
[M-H]- 446.08162 209.6
[M+NH4]+ 465.12272 208.0
[M+K]+ 486.05206 199.7
[M+H-H2O]+ 430.08616 189.7
[M+HCOO]- 492.08710 217.5
[M+CH3COO]- 506.10275 234.9
[M+Na-2H]- 468.06357 206.0
[M]+ 447.08835 200.6
[M]- 447.08945 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.