CID 9604786

2-pyridinecarboximidic acid, [(1z)-1-(4-chlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethylidene]hydrazide

Structural Information

Molecular Formula
C16H14ClN7
SMILES
C1=CC=NC(=C1)/C(=N/N=C(\CN2C=NC=N2)/C3=CC=C(C=C3)Cl)/N
InChI
InChI=1S/C16H14ClN7/c17-13-6-4-12(5-7-13)15(9-24-11-19-10-21-24)22-23-16(18)14-3-1-2-8-20-14/h1-8,10-11H,9H2,(H2,18,23)/b22-15+
InChIKey
STOBQOIVWBJRSC-PXLXIMEGSA-N
Compound name
N'-[(Z)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0999 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10718 176.5
[M+Na]+ 362.08912 183.3
[M-H]- 338.09262 183.1
[M+NH4]+ 357.13372 186.4
[M+K]+ 378.06306 177.1
[M+H-H2O]+ 322.09716 163.8
[M+HCOO]- 384.09810 196.0
[M+CH3COO]- 398.11375 186.2
[M+Na-2H]- 360.07457 181.8
[M]+ 339.09935 177.0
[M]- 339.10045 177.0
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

No patent data available for this compound.