CID 3010356

17676-65-2

Structural Information

Molecular Formula
C9H12ClN3O5
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N)Cl
InChI
InChI=1S/C9H12ClN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6+,8-/m1/s1
InChIKey
LOFVQBRIYOQFDZ-MNCSTQPFSA-N
Compound name
4-amino-5-chloro-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

277.04654 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05382 157.8
[M+Na]+ 300.03576 168.0
[M-H]- 276.03926 159.4
[M+NH4]+ 295.08036 170.6
[M+K]+ 316.00970 164.1
[M+H-H2O]+ 260.04380 151.6
[M+HCOO]- 322.04474 170.4
[M+CH3COO]- 336.06039 192.0
[M+Na-2H]- 298.02121 158.0
[M]+ 277.04599 158.2
[M]- 277.04709 158.2
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.