CID 3063463

2-propanol, 1-(p-sulfanilylanilino)-

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]+ 307.111096 168.3
[M+Na]+ 329.093038 174.4
[M-H]- 305.096544 173.2
[M+NH4]+ 324.137643 181.9
[M+K]+ 345.066978 169.4
[M+H-H2O]+ 289.101080 160.8
[M+HCOO]- 351.102021 185.3
[M+CH3COO]- 365.117671 204.1
[M+Na-2H]- 327.078486 171.1
[M]+ 306.10327142 168.1
[M]- 306.10436858 168.1
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.