CID 3077244

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

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CN1C(=C)C2(CCN(CC2)CCCC3=CC=CC=C3)OC1=O
InChI
InChI=1S/C18H24N2O2/c1-15-18(22-17(21)19(15)2)10-13-20(14-11-18)12-6-9-16-7-4-3-5-8-16/h3-5,7-8H,1,6,9-14H2,2H3
InChIKey
VAYWNGUOZUVHQZ-UHFFFAOYSA-N
Compound name
3-methyl-4-methylidene-8-(3-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 173.3
[M+Na]+ 323.172998 179.3
[M-H]- 299.176504 179.1
[M+NH4]+ 318.217603 188.3
[M+K]+ 339.146938 175.6
[M+H-H2O]+ 283.181040 164.2
[M+HCOO]- 345.181981 188.4
[M+CH3COO]- 359.197631 202.6
[M+Na-2H]- 321.158446 173.8
[M]+ 300.18323142 170.0
[M]- 300.18432858 170.0
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