CID 832422

5-(4-diethylamino-benzylidene)-2,2-dimethyl-(1,3)dioxane-4,6-dione

Structural Information

Molecular Formula
C17H21NO4
SMILES
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)OC(OC2=O)(C)C
InChI
InChI=1S/C17H21NO4/c1-5-18(6-2)13-9-7-12(8-10-13)11-14-15(19)21-17(3,4)22-16(14)20/h7-11H,5-6H2,1-4H3
InChIKey
MWDVDNKGIMGHOR-UHFFFAOYSA-N
Compound name
5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 170.1
[M+Na]+ 326.13628 177.3
[M-H]- 302.13978 179.5
[M+NH4]+ 321.18088 185.1
[M+K]+ 342.11022 177.5
[M+H-H2O]+ 286.14432 162.9
[M+HCOO]- 348.14526 190.2
[M+CH3COO]- 362.16091 210.4
[M+Na-2H]- 324.12173 173.6
[M]+ 303.14651 173.3
[M]- 303.14761 173.3
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