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
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 |