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

113
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 193.7
[M+Na]+ 405.24002 201.4
[M-H]- 381.24352 199.9
[M+NH4]+ 400.28462 206.4
[M+K]+ 421.21396 197.8
[M+H-H2O]+ 365.24806 187.1
[M+HCOO]- 427.24900 209.5
[M+CH3COO]- 441.26465 224.8
[M+Na-2H]- 403.22547 192.6
[M]+ 382.25025 199.2
[M]- 382.25135 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