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

6
Patents

346.18927 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 182.6
[M+Na]+ 369.17849 189.7
[M-H]- 345.18199 189.0
[M+NH4]+ 364.22309 196.1
[M+K]+ 385.15243 187.0
[M+H-H2O]+ 329.18653 173.9
[M+HCOO]- 391.18747 197.7
[M+CH3COO]- 405.20312 212.5
[M+Na-2H]- 367.16394 181.8
[M]+ 346.18872 183.4
[M]- 346.18982 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.