CID 16214974

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

Structural Information

Molecular Formula
C12H17N5O5S
SMILES
CCS(=O)(=O)C[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C12H17N5O5S/c1-3-23(20,21)6-9-8(15-16-13)4-10(22-9)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
CGOGJMIQWOLGEN-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(ethylsulfonylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.09503 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10231 176.4
[M+Na]+ 366.08425 184.3
[M-H]- 342.08775 183.4
[M+NH4]+ 361.12885 187.5
[M+K]+ 382.05819 176.1
[M+H-H2O]+ 326.09229 172.8
[M+HCOO]- 388.09323 195.7
[M+CH3COO]- 402.10888 206.6
[M+Na-2H]- 364.06970 182.1
[M]+ 343.09448 176.8
[M]- 343.09558 176.8
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.