CID 72296

4'-azidothymidine

Structural Information

Molecular Formula
C10H13N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C10H13N5O5/c1-5-3-15(9(19)12-8(5)18)7-2-6(17)10(4-16,20-7)13-14-11/h3,6-7,16-17H,2,4H2,1H3,(H,12,18,19)/t6-,7+,10+/m0/s1
InChIKey
ZNPKSOLUIAAPQI-NYNCVSEMSA-N
Compound name
1-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

121
Patents

283.09167 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 156.1
[M+Na]+ 306.08089 164.4
[M-H]- 282.08439 160.8
[M+NH4]+ 301.12549 169.8
[M+K]+ 322.05483 157.3
[M+H-H2O]+ 266.08893 153.3
[M+HCOO]- 328.08987 179.5
[M+CH3COO]- 342.10552 192.9
[M+Na-2H]- 304.06634 164.7
[M]+ 283.09112 153.3
[M]- 283.09222 153.3
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.