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]+ 304.154336 170.1
[M+Na]+ 326.136278 177.3
[M-H]- 302.139784 179.5
[M+NH4]+ 321.180883 185.1
[M+K]+ 342.110218 177.5
[M+H-H2O]+ 286.144320 162.9
[M+HCOO]- 348.145261 190.2
[M+CH3COO]- 362.160911 210.4
[M+Na-2H]- 324.121726 173.6
[M]+ 303.14651142 173.3
[M]- 303.14760858 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

literature stripe

Patent stripe

patents stripe