CID 21864018

1,5-dioxa-9-azaspiro(5.5)undecane, 3,3,8,8,10,10-hexamethyl-9-(1-(4-(oxiranylmethoxy)phenyl)ethoxy)-

Structural Information

Molecular Formula
C25H39NO5
SMILES
CC(C1=CC=C(C=C1)OCC2CO2)ON3C(CC4(CC3(C)C)OCC(CO4)(C)C)(C)C
InChI
InChI=1S/C25H39NO5/c1-18(19-8-10-20(11-9-19)27-12-21-13-28-21)31-26-23(4,5)14-25(15-24(26,6)7)29-16-22(2,3)17-30-25/h8-11,18,21H,12-17H2,1-7H3
InChIKey
BZDPHNAHPCCTIC-UHFFFAOYSA-N
Compound name
3,3,8,8,10,10-hexamethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

433.28284 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.29012 203.0
[M+Na]+ 456.27206 209.4
[M-H]- 432.27556 214.6
[M+NH4]+ 451.31666 210.7
[M+K]+ 472.24600 214.7
[M+H-H2O]+ 416.28010 195.4
[M+HCOO]- 478.28104 210.9
[M+CH3COO]- 492.29669 230.7
[M+Na-2H]- 454.25751 205.8
[M]+ 433.28229 209.6
[M]- 433.28339 209.6
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