CID 332919

15795-57-0

Structural Information

Molecular Formula
C15H17NO4
SMILES
CC1(OC(=O)C(=CC2=CC=C(C=C2)N(C)C)C(=O)O1)C
InChI
InChI=1S/C15H17NO4/c1-15(2)19-13(17)12(14(18)20-15)9-10-5-7-11(8-6-10)16(3)4/h5-9H,1-4H3
InChIKey
AKJKGSPZKUCMLG-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

12
Patents

275.11575 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 161.5
[M+Na]+ 298.10497 174.0
[M+NH4]+ 293.14957 169.6
[M+K]+ 314.07891 167.2
[M-H]- 274.10847 167.7
[M+Na-2H]- 296.09042 167.9
[M]+ 275.11520 165.1
[M]- 275.11630 165.1
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