CID 3067131

3-phenoxybenzyl 2-(4-methylthiophenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C24H26O2S
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)SC
InChI
InChI=1S/C24H26O2S/c1-24(2,20-12-14-23(27-3)15-13-20)18-25-17-19-8-7-11-22(16-19)26-21-9-5-4-6-10-21/h4-16H,17-18H2,1-3H3
InChIKey
KUZYHYFRTSEIMC-UHFFFAOYSA-N
Compound name
1-[[2-methyl-2-(4-methylsulfanylphenyl)propoxy]methyl]-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

378.16534 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17262 193.3
[M+Na]+ 401.15456 199.2
[M-H]- 377.15806 202.3
[M+NH4]+ 396.19916 205.4
[M+K]+ 417.12850 193.3
[M+H-H2O]+ 361.16260 183.8
[M+HCOO]- 423.16354 209.5
[M+CH3COO]- 437.17919 218.0
[M+Na-2H]- 399.14001 195.1
[M]+ 378.16479 198.2
[M]- 378.16589 198.2
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