CID 44722152

303092-86-6

Structural Information

Molecular Formula
C15H11FN4OS
SMILES
C1=CC(=CC(=C1)F)/C=N/NC(=O)C2=NNC(=C2)C3=CC=CS3
InChI
InChI=1S/C15H11FN4OS/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKey
DLHBIJBRXQYICN-RQZCQDPDSA-N
Compound name
N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06375 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07103 167.6
[M+Na]+ 337.05297 177.3
[M-H]- 313.05647 175.3
[M+NH4]+ 332.09757 183.1
[M+K]+ 353.02691 171.2
[M+H-H2O]+ 297.06101 158.2
[M+HCOO]- 359.06195 189.3
[M+CH3COO]- 373.07760 179.5
[M+Na-2H]- 335.03842 168.6
[M]+ 314.06320 169.0
[M]- 314.06430 169.0
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.