CID 9604784

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

Structural Information

Molecular Formula
C16H15N7
SMILES
C1=CC=C(C=C1)/C(=N/N=C(/C2=CC=CC=N2)\N)/CN3C=NC=N3
InChI
InChI=1S/C16H15N7/c17-16(14-8-4-5-9-19-14)22-21-15(10-23-12-18-11-20-23)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H2,17,22)/b21-15+
InChIKey
LHSQCLIIZNNTIG-RCCKNPSSSA-N
Compound name
N'-[(Z)-[1-phenyl-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

305.1389 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14618 167.8
[M+Na]+ 328.12812 173.0
[M-H]- 304.13162 174.3
[M+NH4]+ 323.17272 177.9
[M+K]+ 344.10206 168.3
[M+H-H2O]+ 288.13616 154.9
[M+HCOO]- 350.13710 192.1
[M+CH3COO]- 364.15275 177.7
[M+Na-2H]- 326.11357 174.6
[M]+ 305.13835 165.8
[M]- 305.13945 165.8
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.