CID 135508859

4-pyridinecarboxylic acid, 2-[(4z)-4-[(2,4-dichlorophenyl)methylene]-4,5-dihydro-5-oxo-1h-imidazol-2-yl]hydrazide

Structural Information

Molecular Formula
C16H11Cl2N5O2
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C\2/C(=O)NC(=N2)NNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H11Cl2N5O2/c17-11-2-1-10(12(18)8-11)7-13-15(25)21-16(20-13)23-22-14(24)9-3-5-19-6-4-9/h1-8H,(H,22,24)(H2,20,21,23,25)/b13-7-
InChIKey
JERDZRIRXZZPEG-QPEQYQDCSA-N
Compound name
N'-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-1H-imidazol-2-yl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.029 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.03628 184.6
[M+Na]+ 398.01822 193.5
[M-H]- 374.02172 189.1
[M+NH4]+ 393.06282 194.3
[M+K]+ 413.99216 185.0
[M+H-H2O]+ 358.02626 174.9
[M+HCOO]- 420.02720 195.7
[M+CH3COO]- 434.04285 193.4
[M+Na-2H]- 396.00367 185.7
[M]+ 375.02845 184.4
[M]- 375.02955 184.4
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

No patent data available for this compound.