CID 146155013

2416219-25-3

Structural Information

Molecular Formula
C12H19N3O5
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CNN(C1=O)C)C(=O)O
InChI
InChI=1S/C12H19N3O5/c1-12(2,3)20-11(19)14-8(10(17)18)5-7-6-13-15(4)9(7)16/h6,8,13H,5H2,1-4H3,(H,14,19)(H,17,18)/t8-/m1/s1
InChIKey
HLXJVHVIWKEECH-MRVPVSSYSA-N
Compound name
(2R)-3-(2-methyl-3-oxo-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13248 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 164.4
[M+Na]+ 308.12170 170.5
[M-H]- 284.12520 163.2
[M+NH4]+ 303.16630 177.7
[M+K]+ 324.09564 169.3
[M+H-H2O]+ 268.12974 157.8
[M+HCOO]- 330.13068 181.2
[M+CH3COO]- 344.14633 197.2
[M+Na-2H]- 306.10715 164.6
[M]+ 285.13193 165.7
[M]- 285.13303 165.7
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.