CID 3077283

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

Structural Information

Molecular Formula
C22H21Cl3N2O2
SMILES
C=C1C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC(=O)N1C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H21Cl3N2O2/c1-15-22(29-21(28)27(15)18-6-7-19(24)20(25)14-18)9-12-26(13-10-22)11-8-16-2-4-17(23)5-3-16/h2-7,14H,1,8-13H2
InChIKey
JJSPXIJFXIFCLZ-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

450.06686 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.07414 206.4
[M+Na]+ 473.05608 215.3
[M-H]- 449.05958 213.3
[M+NH4]+ 468.10068 216.6
[M+K]+ 489.03002 207.5
[M+H-H2O]+ 433.06412 196.3
[M+HCOO]- 495.06506 206.0
[M+CH3COO]- 509.08071 213.7
[M+Na-2H]- 471.04153 201.9
[M]+ 450.06631 206.6
[M]- 450.06741 206.6
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