CID 3067153

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

Structural Information

Molecular Formula
C24H26O2
SMILES
CC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C24H26O2/c1-19-12-14-21(15-13-19)24(2,3)18-25-17-20-8-7-11-23(16-20)26-22-9-5-4-6-10-22/h4-16H,17-18H2,1-3H3
InChIKey
DJQXYRSEXBXPOE-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

346.19327 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.20055 186.8
[M+Na]+ 369.18249 192.4
[M-H]- 345.18599 195.9
[M+NH4]+ 364.22709 199.5
[M+K]+ 385.15643 187.4
[M+H-H2O]+ 329.19053 177.1
[M+HCOO]- 391.19147 207.7
[M+CH3COO]- 405.20712 214.5
[M+Na-2H]- 367.16794 191.0
[M]+ 346.19272 189.5
[M]- 346.19382 189.5
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