CID 5481039

3-((2r,4s,5s)-4-azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,7-dioxo-1,3,5,7-tetrahydro-2h-pyrano[4,3--d]pyrimidine-8-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C15H17N5O7
SMILES
CCOC(=O)C1=C2C(=CN(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])COC1=O
InChI
InChI=1S/C15H17N5O7/c1-2-25-13(22)11-12-7(6-26-14(11)23)4-20(15(24)17-12)10-3-8(18-19-16)9(5-21)27-10/h4,8-10,21H,2-3,5-6H2,1H3,(H,17,24)/t8-,9+,10+/m0/s1
InChIKey
BBDYGVIUHNKEMS-IVZWLZJFSA-N
Compound name
ethyl 3-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,7-dioxo-1,5-dihydropyrano[4,3-d]pyrimidine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1128 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12008 185.1
[M+Na]+ 402.10202 189.3
[M-H]- 378.10552 191.0
[M+NH4]+ 397.14662 192.5
[M+K]+ 418.07596 183.6
[M+H-H2O]+ 362.11006 180.6
[M+HCOO]- 424.11100 202.1
[M+CH3COO]- 438.12665 216.0
[M+Na-2H]- 400.08747 189.8
[M]+ 379.11225 182.4
[M]- 379.11335 182.4
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.