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]+ 318.144816 172.3
[M+Na]+ 340.126758 180.4
[M-H]- 316.130264 177.6
[M+NH4]+ 335.171363 185.9
[M+K]+ 356.100698 178.2
[M+H-H2O]+ 300.134800 163.9
[M+HCOO]- 362.135741 193.7
[M+CH3COO]- 376.151391 209.6
[M+Na-2H]- 338.112206 171.3
[M]+ 317.13699142 176.3
[M]- 317.13808858 176.3
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.