CID 452172

3'-deoxy-6-azathymidine

Structural Information

Molecular Formula
C9H13N3O4
SMILES
CC1=NN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C9H13N3O4/c1-5-8(14)10-9(15)12(11-5)7-3-2-6(4-13)16-7/h6-7,13H,2-4H2,1H3,(H,10,14,15)/t6-,7+/m0/s1
InChIKey
OPMYUIBNAPLLAM-NKWVEPMBSA-N
Compound name
2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.0906 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 147.7
[M+Na]+ 250.07982 157.4
[M-H]- 226.08332 149.2
[M+NH4]+ 245.12442 161.1
[M+K]+ 266.05376 154.9
[M+H-H2O]+ 210.08786 139.9
[M+HCOO]- 272.08880 164.7
[M+CH3COO]- 286.10445 182.7
[M+Na-2H]- 248.06527 150.4
[M]+ 227.09005 147.2
[M]- 227.09115 147.2
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.