CID 9994777

1-[(2r,4s,5s)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-methylsulfanyl-pyrimidin-2-one

Structural Information

Molecular Formula
C11H15N5O3S
SMILES
CC1=CN(C(=O)N=C1SC)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O3S/c1-6-4-16(11(18)13-10(6)20-2)9-3-7(14-15-12)8(5-17)19-9/h4,7-9,17H,3,5H2,1-2H3/t7-,8+,9+/m0/s1
InChIKey
KBBVQSAXBZJEOQ-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-methylsulfanylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.08957 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09685 165.8
[M+Na]+ 320.07879 173.9
[M-H]- 296.08229 172.7
[M+NH4]+ 315.12339 179.2
[M+K]+ 336.05273 166.1
[M+H-H2O]+ 280.08683 161.8
[M+HCOO]- 342.08777 186.2
[M+CH3COO]- 356.10342 201.4
[M+Na-2H]- 318.06424 169.9
[M]+ 297.08902 166.0
[M]- 297.09012 166.0
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.