CID 4549259

208462-94-6

Structural Information

Molecular Formula
C14H20N3O3
SMILES
CN(C)C(=[N+](C)C)ON1C(=O)C2C3CC(C2C1=O)C=C3
InChI
InChI=1S/C14H20N3O3/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19/h5-6,8-11H,7H2,1-4H3/q+1
InChIKey
GPBNVFDFVXCHMV-UHFFFAOYSA-N
Compound name
[dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

278.15045 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15773 165.9
[M+Na]+ 301.13967 172.5
[M-H]- 277.14317 172.0
[M+NH4]+ 296.18427 189.0
[M+K]+ 317.11361 167.0
[M+H-H2O]+ 261.14771 163.8
[M+HCOO]- 323.14865 187.3
[M+CH3COO]- 337.16430 203.5
[M+Na-2H]- 299.12512 167.0
[M]+ 278.14990 167.8
[M]- 278.15100 167.8
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