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

6
Patents

314.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.4
[M+Na]+ 337.18865 184.0
[M-H]- 313.19215 183.5
[M+NH4]+ 332.23325 192.2
[M+K]+ 353.16259 180.0
[M+H-H2O]+ 297.19669 168.5
[M+HCOO]- 359.19763 192.3
[M+CH3COO]- 373.21328 206.8
[M+Na-2H]- 335.17410 176.8
[M]+ 314.19888 174.9
[M]- 314.19998 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.