CID 16215096

1-[(2r,4s,5s)-4-azido-5-(ethylsulfanylmethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H17N5O3S
SMILES
CCSC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C12H17N5O3S/c1-3-21-6-9-8(15-16-13)4-10(20-9)17-5-7(2)11(18)14-12(17)19/h5,8-10H,3-4,6H2,1-2H3,(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKey
IDACCEUGRIRQSJ-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(ethylsulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.10522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11250 170.2
[M+Na]+ 334.09444 178.1
[M-H]- 310.09794 176.9
[M+NH4]+ 329.13904 183.0
[M+K]+ 350.06838 169.5
[M+H-H2O]+ 294.10248 166.1
[M+HCOO]- 356.10342 190.5
[M+CH3COO]- 370.11907 203.6
[M+Na-2H]- 332.07989 173.8
[M]+ 311.10467 170.1
[M]- 311.10577 170.1
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.