CID 6867339

306759-19-3

Structural Information

Molecular Formula
C20H20N4O
SMILES
CCC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C(=NN2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H20N4O/c1-3-15-9-11-16(12-10-15)13-21-24-20(25)19-14(2)18(22-23-19)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,22,23)(H,24,25)/b21-13+
InChIKey
UOXFFQIJXFLZTQ-FYJGNVAPSA-N
Compound name
N-[(E)-(4-ethylphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 180.2
[M+Na]+ 355.15292 186.7
[M-H]- 331.15642 187.7
[M+NH4]+ 350.19752 192.2
[M+K]+ 371.12686 180.4
[M+H-H2O]+ 315.16096 169.6
[M+HCOO]- 377.16190 203.7
[M+CH3COO]- 391.17755 214.4
[M+Na-2H]- 353.13837 182.7
[M]+ 332.16315 179.6
[M]- 332.16425 179.6
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.