CID 488247

Chembl3142423

Structural Information

Molecular Formula
C11H14ClN5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(CCl)N=[N+]=[N-])CO)O
InChI
InChI=1S/C11H14ClN5O5/c12-2-6(15-16-13)5-3-17(11(21)14-10(5)20)9-1-7(19)8(4-18)22-9/h3,6-9,18-19H,1-2,4H2,(H,14,20,21)/t6?,7-,8+,9+/m0/s1
InChIKey
UCPSBDUPEGUDEU-GSLILNRNSA-N
Compound name
5-(1-azido-2-chloroethyl)-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

3
References

0
Patents

331.06836 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07564 172.4
[M+Na]+ 354.05758 179.2
[M-H]- 330.06108 176.2
[M+NH4]+ 349.10218 182.7
[M+K]+ 370.03152 170.7
[M+H-H2O]+ 314.06562 169.1
[M+HCOO]- 376.06656 189.7
[M+CH3COO]- 390.08221 201.0
[M+Na-2H]- 352.04303 176.9
[M]+ 331.06781 170.7
[M]- 331.06891 170.7
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

No patent data available for this compound.