CID 45054914

1-(2-((4-cl-ph)sulfonyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C26H21ClN2O6S
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NS(=O)(=O)C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C26H21ClN2O6S/c1-33-24-14-8-18(15-25(24)34-2)26(30)35-23-13-7-17-5-3-4-6-21(17)22(23)16-28-29-36(31,32)20-11-9-19(27)10-12-20/h3-16,29H,1-2H3/b28-16+
InChIKey
JKWZYWGARGZSHY-LQKURTRISA-N
Compound name
[1-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.0809 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.08818 221.5
[M+Na]+ 547.07012 228.7
[M-H]- 523.07362 233.2
[M+NH4]+ 542.11472 229.0
[M+K]+ 563.04406 223.8
[M+H-H2O]+ 507.07816 211.4
[M+HCOO]- 569.07910 235.7
[M+CH3COO]- 583.09475 246.5
[M+Na-2H]- 545.05557 225.6
[M]+ 524.08035 232.0
[M]- 524.08145 232.0
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.