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

118
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

literature stripe

Patent stripe

patents stripe