CID 3067150

80843-96-5

Structural Information

Molecular Formula
C25H28O3
SMILES
CC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=C(C=C3)OC
InChI
InChI=1S/C25H28O3/c1-19-8-10-21(11-9-19)25(2,3)18-27-17-20-6-5-7-24(16-20)28-23-14-12-22(26-4)13-15-23/h5-16H,17-18H2,1-4H3
InChIKey
WVJBAZNIXYOBSM-UHFFFAOYSA-N
Compound name
1-methoxy-4-[3-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

376.20386 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 194.7
[M+Na]+ 399.19308 200.6
[M-H]- 375.19658 204.0
[M+NH4]+ 394.23768 206.3
[M+K]+ 415.16702 196.1
[M+H-H2O]+ 359.20112 184.6
[M+HCOO]- 421.20206 215.4
[M+CH3COO]- 435.21771 220.6
[M+Na-2H]- 397.17853 197.7
[M]+ 376.20331 199.5
[M]- 376.20441 199.5
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