CID 348928

Nsc408443

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2S/c1-14-7-10-17(11-8-14)24(22,23)21-19-12-9-16(20)13-18(19)15-5-3-2-4-6-15/h2-13,21H,20H2,1H3
InChIKey
HOJPVROQXYVQIO-UHFFFAOYSA-N
Compound name
N-(4-amino-2-phenylphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 178.0
[M+Na]+ 361.09812 185.7
[M-H]- 337.10162 187.5
[M+NH4]+ 356.14272 190.9
[M+K]+ 377.07206 179.1
[M+H-H2O]+ 321.10616 169.2
[M+HCOO]- 383.10710 197.4
[M+CH3COO]- 397.12275 212.6
[M+Na-2H]- 359.08357 182.1
[M]+ 338.10835 178.0
[M]- 338.10945 178.0
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.