CID 6455315

66407-59-8

Structural Information

Molecular Formula
C62H106N2O10
SMILES
CCC1(COC2(CC(NC(C2)(C)C)(C)C)OC1)C3C4(CCC(CC4)OC5CCC(CC5)C(C)C)C(=O)C6(CCC(CC6)OC7CCC(CC7)C(C)C)C(OC(=O)O3)C8(COC9(CC(NC(C9)(C)C)(C)C)OC8)CC
InChI
InChI=1S/C62H106N2O10/c1-15-57(37-67-61(68-38-57)33-53(7,8)63-54(9,10)34-61)50-59(29-25-47(26-30-59)71-45-21-17-43(18-22-45)41(3)4)49(65)60(31-27-48(28-32-60)72-46-23-19-44(20-24-46)42(5)6)51(74-52(66)73-50)58(16-2)39-69-62(70-40-58)35-55(11,12)64-56(13,14)36-62/h41-48,50-51,63-64H,15-40H2,1-14H3
InChIKey
QWGBZRNUMYKEJP-UHFFFAOYSA-N
Compound name
14,18-bis(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)-3,11-bis[(4-propan-2-ylcyclohexyl)oxy]-15,17-dioxadispiro[5.1.58.56]octadecane-7,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1038.7848 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1039.7921 297.8
[M+Na]+ 1061.7740 297.6
[M-H]- 1037.7775 296.2
[M+NH4]+ 1056.8186 297.4
[M+K]+ 1077.7480 291.1
[M+H-H2O]+ 1021.7821 293.9
[M+HCOO]- 1083.7830 297.9
[M+CH3COO]- 1097.7987 299.1
[M+Na-2H]- 1059.7595 308.5
[M]+ 1038.7843 300.7
[M]- 1038.7853 300.7
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

No patent data available for this compound.