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
3
Annotation Hits

0
References

108
Patents

382.2508 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.258076 193.7
[M+Na]+ 405.240018 201.4
[M-H]- 381.243524 199.9
[M+NH4]+ 400.284623 206.4
[M+K]+ 421.213958 197.8
[M+H-H2O]+ 365.248060 187.1
[M+HCOO]- 427.249001 209.5
[M+CH3COO]- 441.264651 224.8
[M+Na-2H]- 403.225466 192.6
[M]+ 382.25025142 199.2
[M]- 382.25134858 199.2
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