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]+ 318.144816 172.7
[M+Na]+ 340.126758 181.1
[M-H]- 316.130264 177.8
[M+NH4]+ 335.171363 186.3
[M+K]+ 356.100698 178.2
[M+H-H2O]+ 300.134800 164.0
[M+HCOO]- 362.135741 195.0
[M+CH3COO]- 376.151391 208.7
[M+Na-2H]- 338.112206 172.7
[M]+ 317.13699142 177.2
[M]- 317.13808858 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.