CID 3067203

Benzene, 1-((2-(4-(ethylthio)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-

Structural Information

Molecular Formula
C25H28O2S
SMILES
CCSC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H28O2S/c1-4-28-24-15-13-21(14-16-24)25(2,3)19-26-18-20-9-8-12-23(17-20)27-22-10-6-5-7-11-22/h5-17H,4,18-19H2,1-3H3
InChIKey
MCVPEKDBCFAICP-UHFFFAOYSA-N
Compound name
1-ethylsulfanyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.181 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18828 197.6
[M+Na]+ 415.17022 203.1
[M-H]- 391.17372 206.5
[M+NH4]+ 410.21482 209.1
[M+K]+ 431.14416 197.0
[M+H-H2O]+ 375.17826 187.9
[M+HCOO]- 437.17920 213.5
[M+CH3COO]- 451.19485 220.9
[M+Na-2H]- 413.15567 199.0
[M]+ 392.18045 202.9
[M]- 392.18155 202.9
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