CID 9630332

2-ethoxy-4-(2-((4-methylphenyl)sulfonyl)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula
C24H24N2O6S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H24N2O6S/c1-4-31-23-15-18(16-25-26-33(28,29)21-12-5-17(2)6-13-21)7-14-22(23)32-24(27)19-8-10-20(30-3)11-9-19/h5-16,26H,4H2,1-3H3/b25-16+
InChIKey
XAWMTZPWJQDRDT-PCLIKHOPSA-N
Compound name
[2-ethoxy-4-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1355 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.14278 211.2
[M+Na]+ 491.12472 216.7
[M-H]- 467.12822 221.9
[M+NH4]+ 486.16932 219.0
[M+K]+ 507.09866 212.9
[M+H-H2O]+ 451.13276 200.2
[M+HCOO]- 513.13370 230.8
[M+CH3COO]- 527.14935 238.2
[M+Na-2H]- 489.11017 213.5
[M]+ 468.13495 219.1
[M]- 468.13605 219.1
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.