CID 71299792

Tert-butyl 4-{[8-(ethoxycarbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}piperidine-1-carboxylate

Structural Information

Molecular Formula
C20H28N4O4
SMILES
CCOC(=O)C1=CC=CN2C1=NN=C2CC3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H28N4O4/c1-5-27-18(25)15-7-6-10-24-16(21-22-17(15)24)13-14-8-11-23(12-9-14)19(26)28-20(2,3)4/h6-7,10,14H,5,8-9,11-13H2,1-4H3
InChIKey
QICKTHOPVGHADR-UHFFFAOYSA-N
Compound name
ethyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.21106 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21834 196.2
[M+Na]+ 411.20028 202.0
[M-H]- 387.20378 198.2
[M+NH4]+ 406.24488 204.9
[M+K]+ 427.17422 198.9
[M+H-H2O]+ 371.20832 186.1
[M+HCOO]- 433.20926 208.3
[M+CH3COO]- 447.22491 218.7
[M+Na-2H]- 409.18573 196.2
[M]+ 388.21051 199.4
[M]- 388.21161 199.4
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.