CID 3077248

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

Structural Information

Molecular Formula
C22H23ClN2O2
SMILES
C=C1C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC(=O)N1C4=CC=CC=C4
InChI
InChI=1S/C22H23ClN2O2/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/h2-10H,1,11-16H2
InChIKey
HZZXPCOTKUDMCZ-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

382.1448 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.152076 194.2
[M+Na]+ 405.134018 201.3
[M-H]- 381.137524 202.9
[M+NH4]+ 400.178623 206.1
[M+K]+ 421.107958 194.6
[M+H-H2O]+ 365.142060 183.4
[M+HCOO]- 427.143001 204.4
[M+CH3COO]- 441.158651 203.0
[M+Na-2H]- 403.119466 192.9
[M]+ 382.14425142 192.0
[M]- 382.14534858 192.0
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