CID 774156

65019-55-8

Structural Information

Molecular Formula
C16H16N2O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H16N2O5S/c1-11(19)18-14-6-8-15(9-7-14)24(22,23)17-10-12-2-4-13(5-3-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKey
HZDGWUPMRIQILX-UHFFFAOYSA-N
Compound name
4-[[(4-acetamidophenyl)sulfonylamino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.078 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.085276 177.0
[M+Na]+ 371.067218 182.3
[M-H]- 347.070724 182.2
[M+NH4]+ 366.111823 188.5
[M+K]+ 387.041158 178.2
[M+H-H2O]+ 331.075260 169.0
[M+HCOO]- 393.076201 194.0
[M+CH3COO]- 407.091851 210.8
[M+Na-2H]- 369.052666 179.8
[M]+ 348.07745142 178.8
[M]- 348.07854858 178.8
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.