CID 64868

34137-09-2

Structural Information

Molecular Formula
C60H87N3O12
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCN2C(=O)N(C(=O)N(C2=O)CCOC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CCOC(=O)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C60H87N3O12/c1-55(2,3)40-31-37(32-41(49(40)67)56(4,5)6)19-22-46(64)73-28-25-61-52(70)62(26-29-74-47(65)23-20-38-33-42(57(7,8)9)50(68)43(34-38)58(10,11)12)54(72)63(53(61)71)27-30-75-48(66)24-21-39-35-44(59(13,14)15)51(69)45(36-39)60(16,17)18/h31-36,67-69H,19-30H2,1-18H3
InChIKey
MQRCHVBRBGNZGJ-UHFFFAOYSA-N
Compound name
2-[3,5-bis[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2849
Patents

1041.629 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1042.6363 298.1
[M+Na]+ 1064.6182 302.8
[M+NH4]+ 1059.6628 300.9
[M+K]+ 1080.5922 301.8
[M-H]- 1040.6217 296.7
[M+Na-2H]- 1062.6037 314.1
[M]+ 1041.6285 299.7
[M]- 1041.6295 299.7
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