CID 6445654

Cinnamyl alcohol, alpha-((2-naphthylsulfinyl)methyl)-alpha-phenyl-

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 196.3
[M+Na]+ 421.12328 201.6
[M-H]- 397.12678 204.3
[M+NH4]+ 416.16788 207.0
[M+K]+ 437.09722 193.4
[M+H-H2O]+ 381.13132 187.0
[M+HCOO]- 443.13226 209.4
[M+CH3COO]- 457.14791 204.5
[M+Na-2H]- 419.10873 199.8
[M]+ 398.13351 196.3
[M]- 398.13461 196.3
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.