CID 483708

3'-azido-3'-deoxythymidin-5'-yl -o-(5-hydroxyethyl) carbonate

Structural Information

Molecular Formula
C13H17N5O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OCCO)N=[N+]=[N-]
InChI
InChI=1S/C13H17N5O7/c1-7-5-18(12(21)15-11(7)20)10-4-8(16-17-14)9(25-10)6-24-13(22)23-3-2-19/h5,8-10,19H,2-4,6H2,1H3,(H,15,20,21)/t8-,9+,10+/m0/s1
InChIKey
OBQSREVKBRMDHM-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-hydroxyethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1128 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12008 176.3
[M+Na]+ 378.10202 182.2
[M-H]- 354.10552 181.7
[M+NH4]+ 373.14662 185.4
[M+K]+ 394.07596 176.2
[M+H-H2O]+ 338.11006 171.5
[M+HCOO]- 400.11100 199.6
[M+CH3COO]- 414.12665 208.2
[M+Na-2H]- 376.08747 181.8
[M]+ 355.11225 176.9
[M]- 355.11335 176.9
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.