CID 146081933

2385013-11-4

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC1=C(C=NN1C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H23N3O4/c1-10-12(13(19)20)9-16-18(10)11-5-7-17(8-6-11)14(21)22-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,19,20)
InChIKey
YLBXESNQJSBTDA-UHFFFAOYSA-N
Compound name
5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.16885 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17613 172.5
[M+Na]+ 332.15807 180.4
[M+NH4]+ 327.20267 176.3
[M+K]+ 348.13201 180.2
[M-H]- 308.16157 170.6
[M+Na-2H]- 330.14352 174.1
[M]+ 309.16830 172.5
[M]- 309.16940 172.5
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

patents stripe