CID 475379

1-(4-azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-ethoxymethyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H17N5O5
SMILES
CCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H17N5O5/c1-2-21-6-7-4-17(12(20)14-11(7)19)10-3-8(15-16-13)9(5-18)22-10/h4,8-10,18H,2-3,5-6H2,1H3,(H,14,19,20)/t8-,9+,10+/m0/s1
InChIKey
BRZJTLIROKWSMG-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(ethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.12296 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13024 167.9
[M+Na]+ 334.11218 174.8
[M-H]- 310.11568 173.3
[M+NH4]+ 329.15678 179.1
[M+K]+ 350.08612 167.7
[M+H-H2O]+ 294.12022 163.4
[M+HCOO]- 356.12116 192.1
[M+CH3COO]- 370.13681 201.9
[M+Na-2H]- 332.09763 174.3
[M]+ 311.12241 167.1
[M]- 311.12351 167.1
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.