CID 71299792

1211592-94-7

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 192.4
[M+Na]+ 411.20028 202.4
[M+NH4]+ 406.24488 196.2
[M+K]+ 427.17422 200.4
[M-H]- 387.20378 191.6
[M+Na-2H]- 409.18573 195.3
[M]+ 388.21051 193.2
[M]- 388.21161 193.2
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.