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

7
Patents

334.1448 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15208 180.6
[M+Na]+ 357.13402 188.2
[M-H]- 333.13752 186.4
[M+NH4]+ 352.17862 195.3
[M+K]+ 373.10796 182.8
[M+H-H2O]+ 317.14206 172.0
[M+HCOO]- 379.14300 191.0
[M+CH3COO]- 393.15865 207.5
[M+Na-2H]- 355.11947 179.8
[M]+ 334.14425 179.6
[M]- 334.14535 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