CID 45054887

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

Structural Information

Molecular Formula
C27H24N2O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C27H24N2O6S/c1-18-8-12-21(13-9-18)36(31,32)29-28-17-23-22-7-5-4-6-19(22)10-14-24(23)35-27(30)20-11-15-25(33-2)26(16-20)34-3/h4-17,29H,1-3H3/b28-17+
InChIKey
GWSRTTAWQQUMCY-OGLMXYFKSA-N
Compound name
[1-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.1355 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14278 220.1
[M+Na]+ 527.12472 226.1
[M-H]- 503.12822 231.4
[M+NH4]+ 522.16932 227.3
[M+K]+ 543.09866 222.1
[M+H-H2O]+ 487.13276 208.8
[M+HCOO]- 549.13370 238.2
[M+CH3COO]- 563.14935 246.2
[M+Na-2H]- 525.11017 224.0
[M]+ 504.13495 228.2
[M]- 504.13605 228.2
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.