CID 20768166

85099-50-9

Structural Information

Molecular Formula
C39H72N2O4
SMILES
CCCCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(NC(C2)(C)C)(C)C)OC13CCCCCCCCCCC3
InChI
InChI=1S/C39H72N2O4/c1-6-7-8-9-10-11-12-13-17-20-23-26-31-44-34(42)27-30-41-35(43)38(32-36(2,3)40-37(4,5)33-38)45-39(41)28-24-21-18-15-14-16-19-22-25-29-39/h40H,6-33H2,1-5H3
InChIKey
OLBWDGJTEXRJLY-UHFFFAOYSA-N
Compound name
tetradecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

650
Patents

632.5492 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.55648 259.5
[M+Na]+ 655.53842 261.4
[M+NH4]+ 650.58302 266.2
[M+K]+ 671.51236 248.7
[M-H]- 631.54192 260.7
[M+Na-2H]- 653.52387 260.9
[M]+ 632.54865 259.9
[M]- 632.54975 259.9
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

patents stripe