CID 385396

Nsc676570

Structural Information

Molecular Formula
C19H17NO2S
SMILES
COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO2S/c1-22-18-11-9-17(10-12-18)20-23(21)19-13-7-16(8-14-19)15-5-3-2-4-6-15/h2-14,20H,1H3
InChIKey
DOXHNDPWVBHLCQ-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-4-phenylbenzenesulfinamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.098 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10528 173.6
[M+Na]+ 346.08722 180.5
[M-H]- 322.09072 183.3
[M+NH4]+ 341.13182 187.4
[M+K]+ 362.06116 174.8
[M+H-H2O]+ 306.09526 164.6
[M+HCOO]- 368.09620 193.2
[M+CH3COO]- 382.11185 184.7
[M+Na-2H]- 344.07267 176.8
[M]+ 323.09745 175.5
[M]- 323.09855 175.5
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.