CID 453829

4'-azido-5-chloro-2'-deoxyuridine

Structural Information

Molecular Formula
C9H10ClN5O5
SMILES
C1[C@@H]([C@](O[C@H]1N2C=C(C(=O)NC2=O)Cl)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C9H10ClN5O5/c10-4-2-15(8(19)12-7(4)18)6-1-5(17)9(3-16,20-6)13-14-11/h2,5-6,16-17H,1,3H2,(H,12,18,19)/t5-,6+,9+/m0/s1
InChIKey
HOSVVXRRMIIWHJ-CCGCGBOQSA-N
Compound name
1-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

303.03705 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04433 160.1
[M+Na]+ 326.02627 169.0
[M-H]- 302.02977 164.5
[M+NH4]+ 321.07087 173.7
[M+K]+ 342.00021 160.8
[M+H-H2O]+ 286.03431 158.1
[M+HCOO]- 348.03525 179.2
[M+CH3COO]- 362.05090 193.6
[M+Na-2H]- 324.01172 168.4
[M]+ 303.03650 158.8
[M]- 303.03760 158.8
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