CID 3077246

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-chlorophenyl)ethyl)-3-cyclohexyl-4-hydroxy-4-methyl-

Structural Information

Molecular Formula
C22H31ClN2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC(=O)N1C4CCCCC4)O
InChI
InChI=1S/C22H31ClN2O3/c1-21(27)22(28-20(26)25(21)19-5-3-2-4-6-19)12-15-24(16-13-22)14-11-17-7-9-18(23)10-8-17/h7-10,19,27H,2-6,11-16H2,1H3
InChIKey
XJAYQGDMCAFIRD-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

406.20233 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20961 199.8
[M+Na]+ 429.19155 204.1
[M-H]- 405.19505 206.4
[M+NH4]+ 424.23615 212.0
[M+K]+ 445.16549 198.8
[M+H-H2O]+ 389.19959 189.7
[M+HCOO]- 451.20053 204.3
[M+CH3COO]- 465.21618 206.6
[M+Na-2H]- 427.17700 196.8
[M]+ 406.20178 194.2
[M]- 406.20288 194.2
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