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

literature stripe

Patent stripe

patents stripe