CID 19046885

93803-61-3

Structural Information

Molecular Formula
C25H36O2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)O)CC2=C(C(=CC(=C2)C(C)C)C(C)C)O
InChI
InChI=1S/C25H36O2/c1-14(2)18-9-20(24(26)22(12-18)16(5)6)11-21-10-19(15(3)4)13-23(17(7)8)25(21)27/h9-10,12-17,26-27H,11H2,1-8H3
InChIKey
VEQGPPAIMRVTQA-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-4,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

368.27155 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 192.7
[M+Na]+ 391.26077 198.0
[M-H]- 367.26427 196.8
[M+NH4]+ 386.30537 204.7
[M+K]+ 407.23471 193.8
[M+H-H2O]+ 351.26881 185.7
[M+HCOO]- 413.26975 206.7
[M+CH3COO]- 427.28540 224.8
[M+Na-2H]- 389.24622 185.2
[M]+ 368.27100 194.9
[M]- 368.27210 194.9
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