CID 3067199

Benzene, 1-(((2-(4-ethoxyphenyl)-2-methylpropyl)thio)methyl)-3-phenoxy-

Structural Information

Molecular Formula
C25H28O2S
SMILES
CCOC1=CC=C(C=C1)C(C)(C)CSCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H28O2S/c1-4-26-22-15-13-21(14-16-22)25(2,3)19-28-18-20-9-8-12-24(17-20)27-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
InChIKey
IYNBVJDDZORUKX-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methylsulfanyl]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.181 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18828 197.2
[M+Na]+ 415.17022 212.8
[M+NH4]+ 410.21482 206.2
[M+K]+ 431.14416 200.6
[M-H]- 391.17372 204.5
[M+Na-2H]- 413.15567 208.3
[M]+ 392.18045 202.5
[M]- 392.18155 202.5
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

patents stripe