CID 2386003

3-[phenyl(prop-2-en-1-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C16H15NO4S
SMILES
C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C16H15NO4S/c1-2-11-17(14-8-4-3-5-9-14)22(20,21)15-10-6-7-13(12-15)16(18)19/h2-10,12H,1,11H2,(H,18,19)
InChIKey
FOCXDNHATGXDNM-UHFFFAOYSA-N
Compound name
3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

317.07217 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.07945 170.2
[M+Na]+ 340.06139 181.2
[M+NH4]+ 335.10599 176.3
[M+K]+ 356.03533 174.3
[M-H]- 316.06489 172.5
[M+Na-2H]- 338.04684 177.3
[M]+ 317.07162 172.7
[M]- 317.07272 172.7
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