CID 452735

2'-pyrrolidino-ddu

Structural Information

Molecular Formula
C13H19N3O4
SMILES
C1CCN(C1)[C@@H]2C[C@H](O[C@H]2N3C=CC(=O)NC3=O)CO
InChI
InChI=1S/C13H19N3O4/c17-8-9-7-10(15-4-1-2-5-15)12(20-9)16-6-3-11(18)14-13(16)19/h3,6,9-10,12,17H,1-2,4-5,7-8H2,(H,14,18,19)/t9-,10+,12+/m0/s1
InChIKey
VCNWCIHODWLEBT-HOSYDEDBSA-N
Compound name
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 162.7
[M+Na]+ 304.12676 169.5
[M-H]- 280.13026 166.8
[M+NH4]+ 299.17136 175.1
[M+K]+ 320.10070 166.5
[M+H-H2O]+ 264.13480 154.4
[M+HCOO]- 326.13574 177.7
[M+CH3COO]- 340.15139 191.7
[M+Na-2H]- 302.11221 160.9
[M]+ 281.13699 159.1
[M]- 281.13809 159.1
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.