CID 43342325

4-(benzyloxy)-3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C14H13NO5S
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)N
InChI
InChI=1S/C14H13NO5S/c15-21(18,19)13-8-11(14(16)17)6-7-12(13)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H2,15,18,19)
InChIKey
UEJSWMDJWBAMNP-UHFFFAOYSA-N
Compound name
4-phenylmethoxy-3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05145 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.058726 166.3
[M+Na]+ 330.040668 173.5
[M-H]- 306.044174 171.5
[M+NH4]+ 325.085273 179.8
[M+K]+ 346.014608 169.4
[M+H-H2O]+ 290.048710 158.9
[M+HCOO]- 352.049651 183.2
[M+CH3COO]- 366.065301 199.5
[M+Na-2H]- 328.026116 169.3
[M]+ 307.05090142 168.6
[M]- 307.05199858 168.6
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.