CID 3077250

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

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCN1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)C)OC1=O
InChI
InChI=1S/C19H26N2O2/c1-4-21-16(3)19(23-18(21)22)10-13-20(14-11-19)12-9-17-7-5-15(2)6-8-17/h5-8H,3-4,9-14H2,1-2H3
InChIKey
WHRFOSMNPFDKJO-UHFFFAOYSA-N
Compound name
3-ethyl-4-methylidene-8-[2-(4-methylphenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

314.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 177.4
[M+Na]+ 337.188648 184.0
[M-H]- 313.192154 183.5
[M+NH4]+ 332.233253 192.2
[M+K]+ 353.162588 180.0
[M+H-H2O]+ 297.196690 168.5
[M+HCOO]- 359.197631 192.3
[M+CH3COO]- 373.213281 206.8
[M+Na-2H]- 335.174096 176.8
[M]+ 314.19888142 174.9
[M]- 314.19997858 174.9
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

No patent data available for this compound.