CID 135459017

N'-[(e)-(5-hydroxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)methylidene]pyridine-4-carbohydrazide

Structural Information

Molecular Formula
C17H15N5O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C17H15N5O2/c1-12-15(11-19-20-16(23)13-7-9-18-10-8-13)17(24)22(21-12)14-5-3-2-4-6-14/h2-11,21H,1H3,(H,20,23)/b19-11+
InChIKey
JGFHKWMOTBMCKI-YBFXNURJSA-N
Compound name
N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1226 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 173.6
[M+Na]+ 344.11182 181.5
[M-H]- 320.11532 180.3
[M+NH4]+ 339.15642 184.5
[M+K]+ 360.08576 175.6
[M+H-H2O]+ 304.11986 162.6
[M+HCOO]- 366.12080 197.1
[M+CH3COO]- 380.13645 209.9
[M+Na-2H]- 342.09727 177.8
[M]+ 321.12205 173.2
[M]- 321.12315 173.2
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.