CID 117013

Einecs 275-199-2

Structural Information

Molecular Formula
C31H32O2
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)CC3=C(C=CC(=C3)C(C)(C)C4=CC=CC=C4)O
InChI
InChI=1S/C31H32O2/c1-30(2,24-11-7-5-8-12-24)26-15-17-28(32)22(20-26)19-23-21-27(16-18-29(23)33)31(3,4)25-13-9-6-10-14-25/h5-18,20-21,32-33H,19H2,1-4H3
InChIKey
FXSDWJLBJPYRKD-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]methyl]-4-(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

436.24023 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24751 211.2
[M+Na]+ 459.22945 216.0
[M-H]- 435.23295 220.7
[M+NH4]+ 454.27405 218.6
[M+K]+ 475.20339 208.6
[M+H-H2O]+ 419.23749 200.7
[M+HCOO]- 481.23843 226.0
[M+CH3COO]- 495.25408 229.4
[M+Na-2H]- 457.21490 213.0
[M]+ 436.23968 210.1
[M]- 436.24078 210.1
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