CID 14401630

84633-54-5

Structural Information

Molecular Formula
C56H84O10
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(CO)(COC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)COC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C56H84O10/c1-50(2,3)38-25-35(26-39(47(38)61)51(4,5)6)19-22-44(58)64-32-56(31-57,33-65-45(59)23-20-36-27-40(52(7,8)9)48(62)41(28-36)53(10,11)12)34-66-46(60)24-21-37-29-42(54(13,14)15)49(63)43(30-37)55(16,17)18/h25-30,57,61-63H,19-24,31-34H2,1-18H3
InChIKey
PLTOWUBLEPQHQC-UHFFFAOYSA-N
Compound name
[2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]-3-hydroxypropyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

916.60645 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 917.61373 255.1
[M+Na]+ 939.59567 256.6
[M-H]- 915.59917 262.7
[M+NH4]+ 934.64027 267.0
[M+K]+ 955.56961 266.4
[M+H-H2O]+ 899.60371 243.7
[M+HCOO]- 961.60465 269.1
[M+CH3COO]- 975.62030 314.3
[M+Na-2H]- 937.58112 240.4
[M]+ 916.60590 266.8
[M]- 916.60700 266.8
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.