CID 44141

62707-50-0

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)OC(C)C
InChI
InChI=1S/C16H19N3O4/c1-10(2)23-16(22)14(20)17-13-11(3)18(4)19(15(13)21)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,17,20)
InChIKey
WGEHKKXFRLSJAK-UHFFFAOYSA-N
Compound name
propan-2-yl 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

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 173.4
[M+Na]+ 340.12676 183.7
[M+NH4]+ 335.17136 177.6
[M+K]+ 356.10070 182.0
[M-H]- 316.13026 173.8
[M+Na-2H]- 338.11221 177.3
[M]+ 317.13699 174.5
[M]- 317.13809 174.5
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.