CID 6445654

Brn 2482379

Structural Information

Molecular Formula
C26H22O2S
SMILES
C1=CC=C(C=C1)/C=C/C(CS(=O)C2=CC3=CC=CC=C3C=C2)(C4=CC=CC=C4)O
InChI
InChI=1S/C26H22O2S/c27-26(24-13-5-2-6-14-24,18-17-21-9-3-1-4-10-21)20-29(28)25-16-15-22-11-7-8-12-23(22)19-25/h1-19,27H,20H2/b18-17+
InChIKey
ZITNXERSGGHHRA-ISLYRVAYSA-N
Compound name
(E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13406 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14134 194.6
[M+Na]+ 421.12328 210.7
[M+NH4]+ 416.16788 203.7
[M+K]+ 437.09722 198.6
[M-H]- 397.12678 201.8
[M+Na-2H]- 419.10873 206.1
[M]+ 398.13351 199.8
[M]- 398.13461 199.8
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.