CID 2762245

885274-51-1

Structural Information

Molecular Formula
C16H23N3O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13(14(20)21)12-5-4-6-17-11-12/h4-6,11,13H,7-10H2,1-3H3,(H,20,21)
InChIKey
UOZAIRMXJCRTJN-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

321.16885 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17613 176.2
[M+Na]+ 344.15807 179.3
[M-H]- 320.16157 176.4
[M+NH4]+ 339.20267 184.9
[M+K]+ 360.13201 177.4
[M+H-H2O]+ 304.16611 166.9
[M+HCOO]- 366.16705 186.7
[M+CH3COO]- 380.18270 203.6
[M+Na-2H]- 342.14352 177.0
[M]+ 321.16830 173.5
[M]- 321.16940 173.5
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