CID 6450928

(e)-5-(2-(methylthio)vinyl)-6-aza-2'-deoxyuridine

Structural Information

Molecular Formula
C11H15N3O5S
SMILES
CS/C=C/C1=NN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H15N3O5S/c1-20-3-2-6-10(17)12-11(18)14(13-6)9-4-7(16)8(5-15)19-9/h2-3,7-9,15-16H,4-5H2,1H3,(H,12,17,18)/b3-2+/t7-,8+,9+/m0/s1
InChIKey
GKWYTVIDPKKMDO-NSVNRLROSA-N
Compound name
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(E)-2-methylsulfanylethenyl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.07324 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08052 166.2
[M+Na]+ 324.06246 175.8
[M-H]- 300.06596 166.6
[M+NH4]+ 319.10706 176.8
[M+K]+ 340.03640 171.0
[M+H-H2O]+ 284.07050 159.4
[M+HCOO]- 346.07144 176.7
[M+CH3COO]- 360.08709 192.5
[M+Na-2H]- 322.04791 164.2
[M]+ 301.07269 168.0
[M]- 301.07379 168.0
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.