CID 3077272

134069-86-6

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CN1C(=C)C2(CCN(CC2)CCC3=CC(=C(C=C3)OC)OC)OC1=O
InChI
InChI=1S/C19H26N2O4/c1-14-19(25-18(22)20(14)2)8-11-21(12-9-19)10-7-15-5-6-16(23-3)17(13-15)24-4/h5-6,13H,1,7-12H2,2-4H3
InChIKey
WMSREPCOSWPFEC-UHFFFAOYSA-N
Compound name
8-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

346.18927 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.196546 182.6
[M+Na]+ 369.178488 189.7
[M-H]- 345.181994 189.0
[M+NH4]+ 364.223093 196.1
[M+K]+ 385.152428 187.0
[M+H-H2O]+ 329.186530 173.9
[M+HCOO]- 391.187471 197.7
[M+CH3COO]- 405.203121 212.5
[M+Na-2H]- 367.163936 181.8
[M]+ 346.18872142 183.4
[M]- 346.18981858 183.4
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.