CID 53725236

26292-69-3

Structural Information

Molecular Formula
C31H32O2
SMILES
CC1=CC(=C(C(=C1)C(C)C2=CC=CC=C2)O)CC3=C(C(=CC(=C3)C)C(C)C4=CC=CC=C4)O
InChI
InChI=1S/C31H32O2/c1-20-15-26(30(32)28(17-20)22(3)24-11-7-5-8-12-24)19-27-16-21(2)18-29(31(27)33)23(4)25-13-9-6-10-14-25/h5-18,22-23,32-33H,19H2,1-4H3
InChIKey
CKARBJATRQVWJP-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-5-methyl-3-(1-phenylethyl)phenyl]methyl]-4-methyl-6-(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

827
Patents

436.24023 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24751 211.8
[M+Na]+ 459.22945 216.9
[M-H]- 435.23295 221.6
[M+NH4]+ 454.27405 219.4
[M+K]+ 475.20339 209.6
[M+H-H2O]+ 419.23749 200.9
[M+HCOO]- 481.23843 227.8
[M+CH3COO]- 495.25408 219.4
[M+Na-2H]- 457.21490 207.9
[M]+ 436.23968 211.3
[M]- 436.24078 211.3
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