CID 451391

111495-93-3

Structural Information

Molecular Formula
C12H13N5O5
SMILES
C#CCOC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H13N5O5/c1-2-3-21-8-5-17(12(20)14-11(8)19)10-4-7(15-16-13)9(6-18)22-10/h1,5,7,9-10,18H,3-4,6H2,(H,14,19,20)/t7-,9+,10+/m0/s1
InChIKey
QJXBESLQNMJFIR-FXBDTBDDSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.09167 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09895 169.0
[M+Na]+ 330.08089 177.4
[M-H]- 306.08439 171.1
[M+NH4]+ 325.12549 178.1
[M+K]+ 346.05483 169.7
[M+H-H2O]+ 290.08893 157.4
[M+HCOO]- 352.08987 186.5
[M+CH3COO]- 366.10552 206.4
[M+Na-2H]- 328.06634 173.1
[M]+ 307.09112 161.5
[M]- 307.09222 161.5
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.