CID 44139

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

Structural Information

Molecular Formula
C14H15N3O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)OC
InChI
InChI=1S/C14H15N3O4/c1-9-11(15-12(18)14(20)21-3)13(19)17(16(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,15,18)
InChIKey
QIXNGEWWZDHCDF-UHFFFAOYSA-N
Compound name
methyl 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

289.10626 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 165.2
[M+Na]+ 312.09548 176.3
[M+NH4]+ 307.14008 169.9
[M+K]+ 328.06942 174.2
[M-H]- 288.09898 165.9
[M+Na-2H]- 310.08093 170.0
[M]+ 289.10571 166.5
[M]- 289.10681 166.5
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.