CID 75481184

5-{[(2-chloropyridin-4-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

Structural Information

Molecular Formula
C12H11ClN2O4
SMILES
CC1(OC(=O)C(=CNC2=CC(=NC=C2)Cl)C(=O)O1)C
InChI
InChI=1S/C12H11ClN2O4/c1-12(2)18-10(16)8(11(17)19-12)6-15-7-3-4-14-9(13)5-7/h3-6H,1-2H3,(H,14,15)
InChIKey
HPQAIINVWNBJEQ-UHFFFAOYSA-N
Compound name
5-[[(2-chloropyridin-4-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.04074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04802 159.9
[M+Na]+ 305.02996 169.7
[M-H]- 281.03346 167.0
[M+NH4]+ 300.07456 174.5
[M+K]+ 321.00390 167.7
[M+H-H2O]+ 265.03800 153.3
[M+HCOO]- 327.03894 175.2
[M+CH3COO]- 341.05459 198.5
[M+Na-2H]- 303.01541 166.0
[M]+ 282.04019 162.6
[M]- 282.04129 162.6
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

patents stripe