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-chloro-4-pyridinyl)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]+ 283.048016 159.9
[M+Na]+ 305.029958 169.7
[M-H]- 281.033464 167.0
[M+NH4]+ 300.074563 174.5
[M+K]+ 321.003898 167.7
[M+H-H2O]+ 265.038000 153.3
[M+HCOO]- 327.038941 175.2
[M+CH3COO]- 341.054591 198.5
[M+Na-2H]- 303.015406 166.0
[M]+ 282.04019142 162.6
[M]- 282.04128858 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