CID 106689

Einecs 266-343-5

Structural Information

Molecular Formula
C47H82N2O10
SMILES
CCC1(COC2(CC(NC(C2)(C)C)(C)C)OC1)COC(=O)OC3CCC(CC3)C(C)(C)C4CCC(CC4)OC(=O)OCC5(COC6(CC(NC(C6)(C)C)(C)C)OC5)CC
InChI
InChI=1S/C47H82N2O10/c1-13-44(29-54-46(55-30-44)23-39(3,4)48-40(5,6)24-46)27-52-37(50)58-35-19-15-33(16-20-35)43(11,12)34-17-21-36(22-18-34)59-38(51)53-28-45(14-2)31-56-47(57-32-45)25-41(7,8)49-42(9,10)26-47/h33-36,48-49H,13-32H2,1-12H3
InChIKey
JVVSWBADGRIYKN-UHFFFAOYSA-N
Compound name
[4-[2-[4-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxycarbonyloxy]cyclohexyl]propan-2-yl]cyclohexyl] (3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

834.5969 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 835.60418 258.1
[M+Na]+ 857.58612 274.2
[M+NH4]+ 852.63072 276.2
[M+K]+ 873.56006 280.7
[M-H]- 833.58962 270.3
[M+Na-2H]- 855.57157 291.3
[M]+ 834.59635 274.9
[M]- 834.59745 274.9
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.