CID 452798

2'-piperidino-dt

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CO)N3CCCCC3
InChI
InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-13(10)20)14-12(7-11(9-19)22-14)17-5-3-2-4-6-17/h8,11-12,14,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,14+/m0/s1
InChIKey
SBGNXUUHJREGHA-OUCADQQQSA-N
Compound name
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-piperidin-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17613 173.5
[M+Na]+ 332.15807 179.6
[M-H]- 308.16157 177.0
[M+NH4]+ 327.20267 183.0
[M+K]+ 348.13201 175.8
[M+H-H2O]+ 292.16611 164.1
[M+HCOO]- 354.16705 185.4
[M+CH3COO]- 368.18270 199.3
[M+Na-2H]- 330.14352 171.5
[M]+ 309.16830 168.7
[M]- 309.16940 168.7
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.