CID 64868

H072p68kr4

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

2954
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 286.4
[M+Na]+ 1064.6182 298.9
[M-H]- 1040.6217 289.5
[M+NH4]+ 1059.6628 290.6
[M+K]+ 1080.5922 270.5
[M+H-H2O]+ 1024.6263 267.7
[M+HCOO]- 1086.6272 291.5
[M+CH3COO]- 1100.6429 336.8
[M+Na-2H]- 1062.6037 306.0
[M]+ 1041.6285 310.6
[M]- 1041.6295 310.6
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