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]+ 282.144816 162.7
[M+Na]+ 304.126758 169.5
[M-H]- 280.130264 166.8
[M+NH4]+ 299.171363 175.1
[M+K]+ 320.100698 166.5
[M+H-H2O]+ 264.134800 154.4
[M+HCOO]- 326.135741 177.7
[M+CH3COO]- 340.151391 191.7
[M+Na-2H]- 302.112206 160.9
[M]+ 281.13699142 159.1
[M]- 281.13808858 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.