CID 3067159

80844-05-9

Structural Information

Molecular Formula
C25H28O2
SMILES
CCC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H28O2/c1-4-25(3,22-15-13-20(2)14-16-22)19-26-18-21-9-8-12-24(17-21)27-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
InChIKey
DYYYQQOQKBOFRZ-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

360.20892 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21620 191.4
[M+Na]+ 383.19814 196.6
[M-H]- 359.20164 200.2
[M+NH4]+ 378.24274 203.5
[M+K]+ 399.17208 191.3
[M+H-H2O]+ 343.20618 181.4
[M+HCOO]- 405.20712 212.0
[M+CH3COO]- 419.22277 217.4
[M+Na-2H]- 381.18359 195.0
[M]+ 360.20837 194.4
[M]- 360.20947 194.4
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