CID 487094

4-[4-(benzylamino)phenyl]sulfonylaniline

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C19H18N2O2S/c20-16-6-10-18(11-7-16)24(22,23)19-12-8-17(9-13-19)21-14-15-4-2-1-3-5-15/h1-13,21H,14,20H2
InChIKey
LUCBKKIFYJIUPP-UHFFFAOYSA-N
Compound name
4-[4-(benzylamino)phenyl]sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 177.5
[M+Na]+ 361.09812 184.4
[M-H]- 337.10162 186.6
[M+NH4]+ 356.14272 190.1
[M+K]+ 377.07206 177.6
[M+H-H2O]+ 321.10616 168.5
[M+HCOO]- 383.10710 197.0
[M+CH3COO]- 397.12275 211.4
[M+Na-2H]- 359.08357 182.3
[M]+ 338.10835 177.1
[M]- 338.10945 177.1
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.