CID 299433

1-oxa-3-azaspiro(4.5)decan-2-one, 3-(3,4-dimethoxyphenyl)-4-methylene

Structural Information

Molecular Formula
C17H21NO4
SMILES
COC1=C(C=C(C=C1)N2C(=C)C3(CCCCC3)OC2=O)OC
InChI
InChI=1S/C17H21NO4/c1-12-17(9-5-4-6-10-17)22-16(19)18(12)13-7-8-14(20-2)15(11-13)21-3/h7-8,11H,1,4-6,9-10H2,2-3H3
InChIKey
FCESSRRYTZOHNX-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 169.3
[M+Na]+ 326.13628 176.5
[M-H]- 302.13978 177.3
[M+NH4]+ 321.18088 185.8
[M+K]+ 342.11022 174.4
[M+H-H2O]+ 286.14432 161.8
[M+HCOO]- 348.14526 186.6
[M+CH3COO]- 362.16091 202.5
[M+Na-2H]- 324.12173 170.5
[M]+ 303.14651 168.6
[M]- 303.14761 168.6
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.