CID 3067172

80844-20-8

Structural Information

Molecular Formula
C29H28O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H28O2/c1-29(2,26-18-16-25(17-19-26)24-11-5-3-6-12-24)22-30-21-23-10-9-15-28(20-23)31-27-13-7-4-8-14-27/h3-20H,21-22H2,1-2H3
InChIKey
WFOHBDVBJMNMOX-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

408.20892 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21620 204.5
[M+Na]+ 431.19814 208.9
[M-H]- 407.20164 215.8
[M+NH4]+ 426.24274 213.6
[M+K]+ 447.17208 202.3
[M+H-H2O]+ 391.20618 192.6
[M+HCOO]- 453.20712 224.4
[M+CH3COO]- 467.22277 213.1
[M+Na-2H]- 429.18359 208.1
[M]+ 408.20837 205.6
[M]- 408.20947 205.6
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