CID 44140

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

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CCCOC(=O)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C16H19N3O4/c1-4-10-23-16(22)14(20)17-13-11(2)18(3)19(15(13)21)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,17,20)
InChIKey
WWCRPNOVKKFXDY-UHFFFAOYSA-N
Compound name
propyl 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

317.13754 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 172.7
[M+Na]+ 340.12676 181.1
[M-H]- 316.13026 177.8
[M+NH4]+ 335.17136 186.3
[M+K]+ 356.10070 178.2
[M+H-H2O]+ 300.13480 164.0
[M+HCOO]- 362.13574 195.0
[M+CH3COO]- 376.15139 208.7
[M+Na-2H]- 338.11221 172.7
[M]+ 317.13699 177.2
[M]- 317.13809 177.2
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.