CID 2396426

3-[benzyl(2-methoxyphenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C21H19NO5S
SMILES
COC1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C21H19NO5S/c1-27-20-13-6-5-12-19(20)22(15-16-8-3-2-4-9-16)28(25,26)18-11-7-10-17(14-18)21(23)24/h2-14H,15H2,1H3,(H,23,24)
InChIKey
UKEFWLFMSYKRRG-UHFFFAOYSA-N
Compound name
3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

397.0984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.10568 189.3
[M+Na]+ 420.08762 202.1
[M+NH4]+ 415.13222 195.5
[M+K]+ 436.06156 194.4
[M-H]- 396.09112 194.2
[M+Na-2H]- 418.07307 199.0
[M]+ 397.09785 192.9
[M]- 397.09895 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe