CID 10825

Carinamide

Structural Information

Molecular Formula

C₁₄H₁₃NO₄S

SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO4S/c16-14(17)12-6-8-13(9-7-12)15-20(18,19)10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)

InChIKey

ZOFLWJXPXAHZLI-UHFFFAOYSA-N

Compound name

4-(benzylsulfonylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 37
References: 401
Patents: 291.05652 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.063796	162.9
[M+Na]+	314.045738	169.6
[M-H]-	290.049244	168.4
[M+NH4]+	309.090343	177.3
[M+K]+	330.019678	165.2
[M+H-H2O]+	274.053780	155.7
[M+HCOO]-	336.054721	180.4
[M+CH3COO]-	350.070371	196.5
[M+Na-2H]-	312.031186	167.4
[M]+	291.05597142	164.4
[M]-	291.05706858	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe