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]+ 246.019546 150.4
[M+Na]+ 268.001488 159.6
[M-H]- 244.004994 153.8
[M+NH4]+ 263.046093 168.1
[M+K]+ 283.975428 155.2
[M+H-H2O]+ 228.009530 144.8
[M+HCOO]- 290.010471 166.1
[M+CH3COO]- 304.026121 197.5
[M+Na-2H]- 265.986936 154.5
[M]+ 245.01172142 153.7
[M]- 245.01281858 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