CID 121232754

Bp_24

Structural Information

Molecular Formula
C51H68O8
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)C(C)(CC(=O)OCCOC(=O)CC(C)(C2=CC(=C(C=C2)O)C(C)(C)C)C3=CC(=C(C=C3)O)C(C)(C)C)C4=CC(=C(C=C4)O)C(C)(C)C
InChI
InChI=1S/C51H68O8/c1-31-24-35(28-39(45(31)57)49(11,12)13)51(15,34-18-21-42(54)38(27-34)48(8,9)10)30-44(56)59-23-22-58-43(55)29-50(14,32-16-19-40(52)36(25-32)46(2,3)4)33-17-20-41(53)37(26-33)47(5,6)7/h16-21,24-28,52-54,57H,22-23,29-30H2,1-15H3
InChIKey
RMTSEIXJXOIOOO-UHFFFAOYSA-N
Compound name
2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-tert-butyl-4-hydroxyphenyl)butanoyl]oxyethyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

808.4914 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 809.49868 283.7
[M+Na]+ 831.48062 281.1
[M-H]- 807.48412 289.5
[M+NH4]+ 826.52522 275.6
[M+K]+ 847.45456 282.7
[M+H-H2O]+ 791.48866 273.6
[M+HCOO]- 853.48960 281.9
[M+CH3COO]- 867.50525 297.2
[M+Na-2H]- 829.46607 282.1
[M]+ 808.49085 290.4
[M]- 808.49195 290.4
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

No patent data available for this compound.