CID 212523

Brn 0703036

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19N3O3/c1-14-19(20(25)23(22(14)2)16-7-5-4-6-8-16)21-13-18(24)15-9-11-17(26-3)12-10-15/h4-13H,1-3H3
InChIKey
JLQIUPJDHGENCA-UHFFFAOYSA-N
Compound name
4-[[2-(4-methoxyphenyl)-2-oxoethylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 182.2
[M+Na]+ 372.131858 191.6
[M-H]- 348.135364 191.8
[M+NH4]+ 367.176463 194.8
[M+K]+ 388.105798 186.9
[M+H-H2O]+ 332.139900 171.8
[M+HCOO]- 394.140841 206.6
[M+CH3COO]- 408.156491 218.4
[M+Na-2H]- 370.117306 183.0
[M]+ 349.14209142 187.0
[M]- 349.14318858 187.0
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.