CID 44143

62707-52-2

Structural Information

Molecular Formula
C17H21N3O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)OCC(C)C
InChI
InChI=1S/C17H21N3O4/c1-11(2)10-24-17(23)15(21)18-14-12(3)19(4)20(16(14)22)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,18,21)
InChIKey
ODVUTOCAPOPUMF-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

331.1532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 177.8
[M+Na]+ 354.14242 187.9
[M+NH4]+ 349.18702 181.8
[M+K]+ 370.11636 186.0
[M-H]- 330.14592 178.2
[M+Na-2H]- 352.12787 181.5
[M]+ 331.15265 178.8
[M]- 331.15375 178.8
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.