CID 457629

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

Structural Information

Molecular Formula
C22H16N4O5S
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)NNC(=O)C4=CC=NC=C4
InChI
InChI=1S/C22H16N4O5S/c27-20-13-19(21(28)18-4-2-1-3-17(18)20)24-15-5-7-16(8-6-15)32(30,31)26-25-22(29)14-9-11-23-12-10-14/h1-13,24,26H,(H,25,29)
InChIKey
SVSRQGHMFJNSNN-UHFFFAOYSA-N
Compound name
N'-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.08414 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.09142 199.5
[M+Na]+ 471.07336 205.3
[M-H]- 447.07686 208.2
[M+NH4]+ 466.11796 206.3
[M+K]+ 487.04730 199.7
[M+H-H2O]+ 431.08140 189.0
[M+HCOO]- 493.08234 216.3
[M+CH3COO]- 507.09799 234.7
[M+Na-2H]- 469.05881 206.5
[M]+ 448.08359 200.5
[M]- 448.08469 200.5
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.