CID 5274888

2-pyridinecarboxamide,n-[(3,4-dichlorophenyl)methyl]-3-hydroxy-

Structural Information

Molecular Formula
C13H10Cl2N2O2
SMILES
C1=CC(=C(N=C1)C(=O)NCC2=CC(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C13H10Cl2N2O2/c14-9-4-3-8(6-10(9)15)7-17-13(19)12-11(18)2-1-5-16-12/h1-6,18H,7H2,(H,17,19)
InChIKey
FCXXZGQDDLXVAQ-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

296.01193 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01921 160.8
[M+Na]+ 319.00115 170.4
[M-H]- 295.00465 164.7
[M+NH4]+ 314.04575 175.4
[M+K]+ 334.97509 163.8
[M+H-H2O]+ 279.00919 154.5
[M+HCOO]- 341.01013 173.7
[M+CH3COO]- 355.02578 199.2
[M+Na-2H]- 316.98660 164.9
[M]+ 296.01138 163.6
[M]- 296.01248 163.6
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