CID 9802991

144754-35-8

Structural Information

Molecular Formula
C24H38N2O3S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCN2CCC3(CC2)CNC(=O)O3
InChI
InChI=1S/C24H38N2O3S/c1-22(2,3)18-14-17(15-19(20(18)27)23(4,5)6)30-13-7-10-26-11-8-24(9-12-26)16-25-21(28)29-24/h14-15,27H,7-13,16H2,1-6H3,(H,25,28)
InChIKey
AQYBPUABOQSUHO-UHFFFAOYSA-N
Compound name
8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

434.2603 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.26758 208.2
[M+Na]+ 457.24952 212.1
[M-H]- 433.25302 211.1
[M+NH4]+ 452.29412 217.7
[M+K]+ 473.22346 207.8
[M+H-H2O]+ 417.25756 201.7
[M+HCOO]- 479.25850 210.8
[M+CH3COO]- 493.27415 223.1
[M+Na-2H]- 455.23497 205.9
[M]+ 434.25975 207.6
[M]- 434.26085 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe