CID 3063463

100958-32-5

Structural Information

Molecular Formula
C15H18N2O3S
SMILES
CC(CNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N)O
InChI
InChI=1S/C15H18N2O3S/c1-11(18)10-17-13-4-8-15(9-5-13)21(19,20)14-6-2-12(16)3-7-14/h2-9,11,17-18H,10,16H2,1H3
InChIKey
LINUNRGIGNMAIG-UHFFFAOYSA-N
Compound name
1-[4-(4-aminophenyl)sulfonylanilino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11110 168.8
[M+Na]+ 329.09304 179.0
[M+NH4]+ 324.13764 175.3
[M+K]+ 345.06698 172.3
[M-H]- 305.09654 171.9
[M+Na-2H]- 327.07849 175.5
[M]+ 306.10327 171.4
[M]- 306.10437 171.4
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.