CID 188215

5-azidomethyl-2'-deoxyuridine

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CN=[N+]=[N-])CO)O
InChI
InChI=1S/C10H13N5O5/c11-14-12-2-5-3-15(10(19)13-9(5)18)8-1-6(17)7(4-16)20-8/h3,6-8,16-17H,1-2,4H2,(H,13,18,19)/t6-,7+,8+/m0/s1
InChIKey
JKSAKMHLWMCADM-XLPZGREQSA-N
Compound name
5-(azidomethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

283.09167 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 158.7
[M+Na]+ 306.08089 166.0
[M-H]- 282.08439 163.1
[M+NH4]+ 301.12549 170.3
[M+K]+ 322.05483 158.5
[M+H-H2O]+ 266.08893 154.7
[M+HCOO]- 328.08987 182.1
[M+CH3COO]- 342.10552 193.4
[M+Na-2H]- 304.06634 165.6
[M]+ 283.09112 155.4
[M]- 283.09222 155.4
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