CID 5272147

4-amino-1-[(1r,2s,3r,4r)-2-azido-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=NC2=O)N)N=[N+]=[N-])O)CO
InChI
InChI=1S/C10H14N6O3/c11-7-1-2-16(10(19)13-7)6-3-5(4-17)9(18)8(6)14-15-12/h1-2,5-6,8-9,17-18H,3-4H2,(H2,11,13,19)/t5-,6-,8+,9-/m1/s1
InChIKey
XSOIFZFGJWIAOQ-MTSNSDSCSA-N
Compound name
4-amino-1-[(1R,2S,3R,4R)-2-azido-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 154.2
[M+Na]+ 289.10195 161.1
[M-H]- 265.10545 158.8
[M+NH4]+ 284.14655 168.1
[M+K]+ 305.07589 153.0
[M+H-H2O]+ 249.10999 150.0
[M+HCOO]- 311.11093 179.9
[M+CH3COO]- 325.12658 196.4
[M+Na-2H]- 287.08740 160.4
[M]+ 266.11218 148.5
[M]- 266.11328 148.5
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.