CID 2345111

Methyl 4-chloro-3-[(2-methoxyphenyl)(prop-2-en-1-yl)sulfamoyl]benzoate

Structural Information

Molecular Formula
C18H18ClNO5S
SMILES
COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)Cl
InChI
InChI=1S/C18H18ClNO5S/c1-4-11-20(15-7-5-6-8-16(15)24-2)26(22,23)17-12-13(18(21)25-3)9-10-14(17)19/h4-10,12H,1,11H2,2-3H3
InChIKey
SSDJYSAEKNJZSQ-UHFFFAOYSA-N
Compound name
methyl 4-chloro-3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.05942 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06670 187.2
[M+Na]+ 418.04864 195.1
[M-H]- 394.05214 195.7
[M+NH4]+ 413.09324 200.0
[M+K]+ 434.02258 190.8
[M+H-H2O]+ 378.05668 179.9
[M+HCOO]- 440.05762 201.2
[M+CH3COO]- 454.07327 220.8
[M+Na-2H]- 416.03409 188.2
[M]+ 395.05887 196.9
[M]- 395.05997 196.9
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.