CID 40525

Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)amino)oxo-, ethyl ester

Structural Information

Molecular Formula
C15H17N3O4
SMILES
CCOC(=O)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C15H17N3O4/c1-4-22-15(21)13(19)16-12-10(2)17(3)18(14(12)20)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,16,19)
InChIKey
PSEBDQHBGBBFGY-UHFFFAOYSA-N
Compound name
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.129196 168.1
[M+Na]+ 326.111138 176.9
[M-H]- 302.114644 173.4
[M+NH4]+ 321.155743 182.3
[M+K]+ 342.085078 174.3
[M+H-H2O]+ 286.119180 159.6
[M+HCOO]- 348.120121 190.8
[M+CH3COO]- 362.135771 205.7
[M+Na-2H]- 324.096586 168.6
[M]+ 303.12137142 172.3
[M]- 303.12246858 172.3
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.