CID 2369482

3-{[4-(benzyloxy)phenyl]sulfamoyl}benzoic acid

Structural Information

Molecular Formula
C20H17NO5S
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C20H17NO5S/c22-20(23)16-7-4-8-19(13-16)27(24,25)21-17-9-11-18(12-10-17)26-14-15-5-2-1-3-6-15/h1-13,21H,14H2,(H,22,23)
InChIKey
JCPVFSKGIIVYIS-UHFFFAOYSA-N
Compound name
3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

383.08273 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09001 187.1
[M+Na]+ 406.07195 192.9
[M-H]- 382.07545 195.3
[M+NH4]+ 401.11655 197.1
[M+K]+ 422.04589 187.8
[M+H-H2O]+ 366.07999 178.0
[M+HCOO]- 428.08093 204.1
[M+CH3COO]- 442.09658 214.1
[M+Na-2H]- 404.05740 191.0
[M]+ 383.08218 189.7
[M]- 383.08328 189.7
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