CID 9672024

2-ethoxy-4-(2-(phenylsulfonyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H18Cl2N2O5S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NS(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H18Cl2N2O5S/c1-2-30-21-12-15(14-25-26-32(28,29)17-6-4-3-5-7-17)8-11-20(21)31-22(27)18-10-9-16(23)13-19(18)24/h3-14,26H,2H2,1H3/b25-14+
InChIKey
UBMRWLFBXGLTKG-AFUMVMLFSA-N
Compound name
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.03134 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.03862 210.7
[M+Na]+ 515.02056 218.6
[M-H]- 491.02406 221.5
[M+NH4]+ 510.06516 219.6
[M+K]+ 530.99450 212.4
[M+H-H2O]+ 475.02860 202.4
[M+HCOO]- 537.02954 221.8
[M+CH3COO]- 551.04519 237.1
[M+Na-2H]- 513.00601 212.8
[M]+ 492.03079 220.8
[M]- 492.03189 220.8
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.