CID 135459017

(e)-n'-((5-hydroxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)methylene)isonicotinohydrazide

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]+ 322.129876 173.6
[M+Na]+ 344.111818 181.5
[M-H]- 320.115324 180.3
[M+NH4]+ 339.156423 184.5
[M+K]+ 360.085758 175.6
[M+H-H2O]+ 304.119860 162.6
[M+HCOO]- 366.120801 197.1
[M+CH3COO]- 380.136451 209.9
[M+Na-2H]- 342.097266 177.8
[M]+ 321.12205142 173.2
[M]- 321.12314858 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.