CID 27511

P 1059

Structural Information

Molecular Formula
C9H9Cl2N3O
SMILES
CC(=NNC(=O)C1=CC(=NC(=C1)Cl)Cl)C
InChI
InChI=1S/C9H9Cl2N3O/c1-5(2)13-14-9(15)6-3-7(10)12-8(11)4-6/h3-4H,1-2H3,(H,14,15)
InChIKey
QGHBIZMKYMHCAX-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-(propan-2-ylideneamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.01227 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01955 150.4
[M+Na]+ 268.00149 159.6
[M-H]- 244.00499 153.8
[M+NH4]+ 263.04609 168.1
[M+K]+ 283.97543 155.2
[M+H-H2O]+ 228.00953 144.8
[M+HCOO]- 290.01047 166.1
[M+CH3COO]- 304.02612 197.5
[M+Na-2H]- 265.98694 154.5
[M]+ 245.01172 153.7
[M]- 245.01282 153.7
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