CID 3077243

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

Structural Information

Molecular Formula
C22H29ClN2O2
SMILES
C=C1C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC(=O)N1C4CCCCC4
InChI
InChI=1S/C22H29ClN2O2/c1-17-22(27-21(26)25(17)20-5-3-2-4-6-20)12-15-24(16-13-22)14-11-18-7-9-19(23)10-8-18/h7-10,20H,1-6,11-16H2
InChIKey
NXNQQIUVWKMHCM-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-3-cyclohexyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.19174 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19902 198.3
[M+Na]+ 411.18096 202.3
[M-H]- 387.18446 205.8
[M+NH4]+ 406.22556 209.8
[M+K]+ 427.15490 196.2
[M+H-H2O]+ 371.18900 187.5
[M+HCOO]- 433.18994 204.2
[M+CH3COO]- 447.20559 205.4
[M+Na-2H]- 409.16641 194.0
[M]+ 388.19119 191.8
[M]- 388.19229 191.8
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