CID 217185

Brn 2765129

Structural Information

Molecular Formula
C24H21NOS
SMILES
C1=CC=C(C=C1)C(CS(=O)C2=CC3=CC=CC=C3C=C2)NC4=CC=CC=C4
InChI
InChI=1S/C24H21NOS/c26-27(23-16-15-19-9-7-8-12-21(19)17-23)18-24(20-10-3-1-4-11-20)25-22-13-5-2-6-14-22/h1-17,24-25H,18H2
InChIKey
QSAJWRDSOOYHIX-UHFFFAOYSA-N
Compound name
N-(2-naphthalen-2-ylsulfinyl-1-phenylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1344 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14168 186.4
[M+Na]+ 394.12362 191.2
[M-H]- 370.12712 195.7
[M+NH4]+ 389.16822 198.5
[M+K]+ 410.09756 184.1
[M+H-H2O]+ 354.13166 176.7
[M+HCOO]- 416.13260 202.7
[M+CH3COO]- 430.14825 195.5
[M+Na-2H]- 392.10907 190.2
[M]+ 371.13385 186.3
[M]- 371.13495 186.3
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.