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]+ 304.12920 168.1
[M+Na]+ 326.11114 176.9
[M-H]- 302.11464 173.4
[M+NH4]+ 321.15574 182.3
[M+K]+ 342.08508 174.3
[M+H-H2O]+ 286.11918 159.6
[M+HCOO]- 348.12012 190.8
[M+CH3COO]- 362.13577 205.7
[M+Na-2H]- 324.09659 168.6
[M]+ 303.12137 172.3
[M]- 303.12247 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.