CID 6481568

5-(aziridin-1-ylmethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H17N3O5
SMILES
C1CN1CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C12H17N3O5/c16-6-9-8(17)3-10(20-9)15-5-7(4-14-1-2-14)11(18)13-12(15)19/h5,8-10,16-17H,1-4,6H2,(H,13,18,19)/t8-,9+,10+/m0/s1
InChIKey
BBPJZNDMDOGQSO-IVZWLZJFSA-N
Compound name
5-(aziridin-1-ylmethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.11682 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.124096 167.7
[M+Na]+ 306.106038 178.3
[M-H]- 282.109544 171.7
[M+NH4]+ 301.150643 173.7
[M+K]+ 322.079978 172.5
[M+H-H2O]+ 266.114080 159.9
[M+HCOO]- 328.115021 182.7
[M+CH3COO]- 342.130671 194.7
[M+Na-2H]- 304.091486 167.7
[M]+ 283.11627142 169.7
[M]- 283.11736858 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.