CID 480265

84558-94-1

Structural Information

Molecular Formula
C12H14N2O5
SMILES
CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H14N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h5,8-10,15-16H,4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
HFJMJLXCBVKXNY-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1530
Patents

266.09027 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 155.6
[M+Na]+ 289.07949 166.4
[M-H]- 265.08299 154.9
[M+NH4]+ 284.12409 166.5
[M+K]+ 305.05343 161.8
[M+H-H2O]+ 249.08753 142.3
[M+HCOO]- 311.08847 166.4
[M+CH3COO]- 325.10412 195.3
[M+Na-2H]- 287.06494 155.3
[M]+ 266.08972 149.3
[M]- 266.09082 149.3
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

patents stripe