CID 493548

3'-azido-3'-deoxy-3-[2-(ethoxycarbonyl)ethyl]thymidine

Structural Information

Molecular Formula
C15H21N5O6
SMILES
CCOC(=O)CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])C
InChI
InChI=1S/C15H21N5O6/c1-3-25-13(22)4-5-19-14(23)9(2)7-20(15(19)24)12-6-10(17-18-16)11(8-21)26-12/h7,10-12,21H,3-6,8H2,1-2H3/t10-,11+,12+/m0/s1
InChIKey
DPBMSGQYTGKICH-QJPTWQEYSA-N
Compound name
ethyl 3-[3-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.14917 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15645 184.0
[M+Na]+ 390.13839 190.6
[M-H]- 366.14189 190.8
[M+NH4]+ 385.18299 193.7
[M+K]+ 406.11233 184.3
[M+H-H2O]+ 350.14643 179.2
[M+HCOO]- 412.14737 208.0
[M+CH3COO]- 426.16302 216.2
[M+Na-2H]- 388.12384 187.8
[M]+ 367.14862 186.3
[M]- 367.14972 186.3
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.