CID 371977

Nsc646791

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H19N3O3/c1-12-9-10-16(13(2)11-12)21-19(25)18(24)17-14(3)22-23(20(17)26)15-7-5-4-6-8-15/h4-11,17H,1-3H3,(H,21,25)
InChIKey
ZPHZKFHVJKGLJA-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 182.7
[M+Na]+ 372.13186 190.4
[M-H]- 348.13536 190.7
[M+NH4]+ 367.17646 194.4
[M+K]+ 388.10580 185.7
[M+H-H2O]+ 332.13990 173.0
[M+HCOO]- 394.14084 203.2
[M+CH3COO]- 408.15649 217.3
[M+Na-2H]- 370.11731 181.2
[M]+ 349.14209 183.8
[M]- 349.14319 183.8
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.