CID 9604785

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

Structural Information

Molecular Formula
C16H14BrN7
SMILES
C1=CC=NC(=C1)/C(=N/N=C(\CN2C=NC=N2)/C3=CC=C(C=C3)Br)/N
InChI
InChI=1S/C16H14BrN7/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
ZSWXOLDVZWPYKT-PXLXIMEGSA-N
Compound name
N'-[(Z)-[1-(4-bromophenyl)-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

383.0494 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05668 174.1
[M+Na]+ 406.03862 182.8
[M-H]- 382.04212 183.2
[M+NH4]+ 401.08322 185.6
[M+K]+ 422.01256 170.2
[M+H-H2O]+ 366.04666 168.3
[M+HCOO]- 428.04760 196.0
[M+CH3COO]- 442.06325 185.7
[M+Na-2H]- 404.02407 181.2
[M]+ 383.04885 191.1
[M]- 383.04995 191.1
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.