CID 9664706

1-(2-(phenylsulfonyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C26H22N2O6S
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NS(=O)(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C26H22N2O6S/c1-32-24-15-13-19(16-25(24)33-2)26(29)34-23-14-12-18-8-6-7-11-21(18)22(23)17-27-28-35(30,31)20-9-4-3-5-10-20/h3-17,28H,1-2H3/b27-17+
InChIKey
JFWKYXWCOHYPKB-WPWMEQJKSA-N
Compound name
[1-[(E)-(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.11984 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.12712 215.3
[M+Na]+ 513.10906 221.0
[M-H]- 489.11256 226.5
[M+NH4]+ 508.15366 222.8
[M+K]+ 529.08300 217.0
[M+H-H2O]+ 473.11710 204.0
[M+HCOO]- 535.11804 233.8
[M+CH3COO]- 549.13369 242.0
[M+Na-2H]- 511.09451 220.4
[M]+ 490.11929 222.6
[M]- 490.12039 222.6
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.