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

12
Patents

376.20386 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.211136 194.7
[M+Na]+ 399.193078 200.6
[M-H]- 375.196584 204.0
[M+NH4]+ 394.237683 206.3
[M+K]+ 415.167018 196.1
[M+H-H2O]+ 359.201120 184.6
[M+HCOO]- 421.202061 215.4
[M+CH3COO]- 435.217711 220.6
[M+Na-2H]- 397.178526 197.7
[M]+ 376.20331142 199.5
[M]- 376.20440858 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