CID 385383

Nsc676557

Structural Information

Molecular Formula
C18H15NOS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H15NOS/c20-21(19-17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H
InChIKey
YNDGPJUAAJISNJ-UHFFFAOYSA-N
Compound name
N,4-diphenylbenzenesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08743 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09471 165.4
[M+Na]+ 316.07665 172.1
[M-H]- 292.08015 174.9
[M+NH4]+ 311.12125 180.3
[M+K]+ 332.05059 166.0
[M+H-H2O]+ 276.08469 156.8
[M+HCOO]- 338.08563 185.1
[M+CH3COO]- 352.10128 176.8
[M+Na-2H]- 314.06210 169.8
[M]+ 293.08688 165.2
[M]- 293.08798 165.2
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.