CID 451479

Azddclu

Structural Information

Molecular Formula
C9H10ClN5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H10ClN5O4/c10-4-2-15(9(18)12-8(4)17)7-1-5(13-14-11)6(3-16)19-7/h2,5-7,16H,1,3H2,(H,12,17,18)/t5-,6+,7+/m0/s1
InChIKey
ZGTVUJJJVGOODR-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-chloropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

287.04214 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04942 161.7
[M+Na]+ 310.03136 170.4
[M-H]- 286.03486 167.0
[M+NH4]+ 305.07596 174.7
[M+K]+ 326.00530 162.0
[M+H-H2O]+ 270.03940 158.5
[M+HCOO]- 332.04034 181.9
[M+CH3COO]- 346.05599 194.3
[M+Na-2H]- 308.01681 168.2
[M]+ 287.04159 160.4
[M]- 287.04269 160.4
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