CID 452736

2'-piperidino-ddu

Structural Information

Molecular Formula
C14H21N3O4
SMILES
C1CCN(CC1)[C@@H]2C[C@H](O[C@H]2N3C=CC(=O)NC3=O)CO
InChI
InChI=1S/C14H21N3O4/c18-9-10-8-11(16-5-2-1-3-6-16)13(21-10)17-7-4-12(19)15-14(17)20/h4,7,10-11,13,18H,1-3,5-6,8-9H2,(H,15,19,20)/t10-,11+,13+/m0/s1
InChIKey
FBBVJXXJQWUBOF-DMDPSCGWSA-N
Compound name
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-piperidin-1-yloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 168.4
[M+Na]+ 318.14242 174.1
[M-H]- 294.14592 171.7
[M+NH4]+ 313.18702 178.2
[M+K]+ 334.11636 170.5
[M+H-H2O]+ 278.15046 158.9
[M+HCOO]- 340.15140 180.8
[M+CH3COO]- 354.16705 195.0
[M+Na-2H]- 316.12787 167.7
[M]+ 295.15265 162.9
[M]- 295.15375 162.9
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.