CID 710106

324067-76-7

Structural Information

Molecular Formula
C20H21N3O
SMILES
CCC1=CC=C(C=C1)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H21N3O/c1-4-16-10-12-17(13-11-16)14-21-19-15(2)22(3)23(20(19)24)18-8-6-5-7-9-18/h5-14H,4H2,1-3H3
InChIKey
GOOVMNQOXRWFES-UHFFFAOYSA-N
Compound name
4-[(4-ethylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 177.3
[M+Na]+ 342.15768 187.3
[M-H]- 318.16118 186.7
[M+NH4]+ 337.20228 191.6
[M+K]+ 358.13162 181.2
[M+H-H2O]+ 302.16572 167.0
[M+HCOO]- 364.16666 202.2
[M+CH3COO]- 378.18231 214.1
[M+Na-2H]- 340.14313 179.0
[M]+ 319.16791 180.7
[M]- 319.16901 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.