CID 3077278

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

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
CCN1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC1=O
InChI
InChI=1S/C18H23ClN2O2/c1-3-21-14(2)18(23-17(21)22)9-12-20(13-10-18)11-8-15-4-6-16(19)7-5-15/h4-7H,2-3,8-13H2,1H3
InChIKey
YFXGZOCQXUSXJU-UHFFFAOYSA-N
Compound name
8-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

334.1448 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.152076 180.6
[M+Na]+ 357.134018 188.2
[M-H]- 333.137524 186.4
[M+NH4]+ 352.178623 195.3
[M+K]+ 373.107958 182.8
[M+H-H2O]+ 317.142060 172.0
[M+HCOO]- 379.143001 191.0
[M+CH3COO]- 393.158651 207.5
[M+Na-2H]- 355.119466 179.8
[M]+ 334.14425142 179.6
[M]- 334.14534858 179.6
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