CID 488242

Chembl3142948

Structural Information

Molecular Formula
C11H15N5O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(CN=[N+]=[N-])O)CO)O
InChI
InChI=1S/C11H15N5O6/c12-15-13-2-7(19)5-3-16(11(21)14-10(5)20)9-1-6(18)8(4-17)22-9/h3,6-9,17-19H,1-2,4H2,(H,14,20,21)/t6-,7?,8+,9+/m0/s1
InChIKey
AKDMQRBDHAWQJV-KKVHJZIVSA-N
Compound name
5-(2-azido-1-hydroxyethyl)-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

1
References

0
Patents

313.10223 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10951 165.3
[M+Na]+ 336.09145 171.1
[M-H]- 312.09495 168.3
[M+NH4]+ 331.13605 174.8
[M+K]+ 352.06539 163.8
[M+H-H2O]+ 296.09949 161.3
[M+HCOO]- 358.10043 186.0
[M+CH3COO]- 372.11608 197.4
[M+Na-2H]- 334.07690 170.6
[M]+ 313.10168 161.2
[M]- 313.10278 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.