CID 465654

3-(furanyl-me)azt

Structural Information

Molecular Formula
C15H17N5O5
SMILES
CC1=CN(C(=O)N(C1=O)CC2=COC=C2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C15H17N5O5/c1-9-5-19(13-4-11(17-18-16)12(7-21)25-13)15(23)20(14(9)22)6-10-2-3-24-8-10/h2-3,5,8,11-13,21H,4,6-7H2,1H3/t11-,12+,13+/m0/s1
InChIKey
LCUCBLTYBZNIAH-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(furan-3-ylmethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.12296 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13024 180.0
[M+Na]+ 370.11218 187.5
[M-H]- 346.11568 191.0
[M+NH4]+ 365.15678 190.6
[M+K]+ 386.08612 181.2
[M+H-H2O]+ 330.12022 175.5
[M+HCOO]- 392.12116 205.5
[M+CH3COO]- 406.13681 211.2
[M+Na-2H]- 368.09763 184.8
[M]+ 347.12241 181.2
[M]- 347.12351 181.2
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.