CID 1101245

78439-83-5

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H21N3O3/c1-14-19(20(24)23(22(14)2)16-8-6-5-7-9-16)21-13-15-10-11-17(25-3)18(12-15)26-4/h5-13H,1-4H3
InChIKey
CLWGXFVQBMLUHI-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 183.4
[M+Na]+ 374.147518 193.8
[M-H]- 350.151024 193.3
[M+NH4]+ 369.192123 196.5
[M+K]+ 390.121458 189.2
[M+H-H2O]+ 334.155560 173.0
[M+HCOO]- 396.156501 208.6
[M+CH3COO]- 410.172151 219.6
[M+Na-2H]- 372.132966 184.6
[M]+ 351.15775142 190.0
[M]- 351.15884858 190.0
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.