CID 18539736

41620-33-1

Structural Information

Molecular Formula
C25H34O3
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C
InChI
InChI=1S/C25H34O3/c1-15-10-18(22(27)20(12-15)24(4,5)6)14-19-11-16(2)13-21(25(7,8)9)23(19)28-17(3)26/h10-13,27H,14H2,1-9H3
InChIKey
NJCYMDOCYOTTMU-UHFFFAOYSA-N
Compound name
[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

109
Patents

382.2508 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25808 197.9
[M+Na]+ 405.24002 210.9
[M+NH4]+ 400.28462 203.9
[M+K]+ 421.21396 204.9
[M-H]- 381.24352 200.3
[M+Na-2H]- 403.22547 203.0
[M]+ 382.25025 200.7
[M]- 382.25135 200.7
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