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]+ 333.170976 180.2
[M+Na]+ 355.152918 186.7
[M-H]- 331.156424 187.7
[M+NH4]+ 350.197523 192.2
[M+K]+ 371.126858 180.4
[M+H-H2O]+ 315.160960 169.6
[M+HCOO]- 377.161901 203.7
[M+CH3COO]- 391.177551 214.4
[M+Na-2H]- 353.138366 182.7
[M]+ 332.16315142 179.6
[M]- 332.16424858 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.