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

161
Patents

321.16885 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.176126 176.2
[M+Na]+ 344.158068 179.3
[M-H]- 320.161574 176.4
[M+NH4]+ 339.202673 184.9
[M+K]+ 360.132008 177.4
[M+H-H2O]+ 304.166110 166.9
[M+HCOO]- 366.167051 186.7
[M+CH3COO]- 380.182701 203.6
[M+Na-2H]- 342.143516 177.0
[M]+ 321.16830142 173.5
[M]- 321.16939858 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