CID 9604788

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

Structural Information

Molecular Formula
C22H19N7
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=N/N=C(/C3=CC=CC=N3)\N)/CN4C=NC=N4
InChI
InChI=1S/C22H19N7/c23-22(20-8-4-5-13-25-20)28-27-21(14-29-16-24-15-26-29)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-13,15-16H,14H2,(H2,23,28)/b27-21+
InChIKey
FPHRMRQCICHMGV-SZXQPVLSSA-N
Compound name
N'-[(Z)-[1-(4-phenylphenyl)-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

381.1702 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17748 187.8
[M+Na]+ 404.15942 192.4
[M-H]- 380.16292 197.1
[M+NH4]+ 399.20402 194.3
[M+K]+ 420.13336 185.6
[M+H-H2O]+ 364.16746 173.6
[M+HCOO]- 426.16840 211.0
[M+CH3COO]- 440.18405 196.2
[M+Na-2H]- 402.14487 193.3
[M]+ 381.16965 185.5
[M]- 381.17075 185.5
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.