CID 3077268

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

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CN1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC1=O
InChI
InChI=1S/C17H21ClN2O2/c1-13-17(22-16(21)19(13)2)8-11-20(12-9-17)10-7-14-3-5-15(18)6-4-14/h3-6H,1,7-12H2,2H3
InChIKey
YTMMBSMORBBZOY-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-3-methyl-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

320.12915 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 176.1
[M+Na]+ 343.11837 184.2
[M-H]- 319.12187 182.2
[M+NH4]+ 338.16297 191.4
[M+K]+ 359.09231 179.0
[M+H-H2O]+ 303.12641 167.7
[M+HCOO]- 365.12735 186.8
[M+CH3COO]- 379.14300 186.4
[M+Na-2H]- 341.10382 175.9
[M]+ 320.12860 174.8
[M]- 320.12970 174.8
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