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]+ 284.12410 167.7
[M+Na]+ 306.10604 178.3
[M-H]- 282.10954 171.7
[M+NH4]+ 301.15064 173.7
[M+K]+ 322.07998 172.5
[M+H-H2O]+ 266.11408 159.9
[M+HCOO]- 328.11502 182.7
[M+CH3COO]- 342.13067 194.7
[M+Na-2H]- 304.09149 167.7
[M]+ 283.11627 169.7
[M]- 283.11737 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.