CID 9606814

303108-08-9

Structural Information

Molecular Formula
C20H19FN4O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)F
InChI
InChI=1S/C20H19FN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)/b22-13+
InChIKey
BDINXBJJAJEPSK-LPYMAVHISA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1492 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15648 185.8
[M+Na]+ 389.13842 191.7
[M-H]- 365.14192 192.0
[M+NH4]+ 384.18302 196.1
[M+K]+ 405.11236 186.2
[M+H-H2O]+ 349.14646 174.2
[M+HCOO]- 411.14740 207.4
[M+CH3COO]- 425.16305 220.1
[M+Na-2H]- 387.12387 186.7
[M]+ 366.14865 185.0
[M]- 366.14975 185.0
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.