CID 5273624

Chembl222242

Structural Information

Molecular Formula
C11H16ClN3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)CN)Cl
InChI
InChI=1S/C11H16ClN3O4/c1-5-3-15(11(18)14-9(5)17)10-8(12)6(2-13)7(4-16)19-10/h3,6-8,10,16H,2,4,13H2,1H3,(H,14,17,18)/t6-,7-,8-,10-/m1/s1
InChIKey
WIWKWCBEQQDQDJ-FDDDBJFASA-N
Compound name
1-[(2R,3R,4R,5S)-4-(aminomethyl)-3-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.08295 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09023 164.0
[M+Na]+ 312.07217 174.3
[M-H]- 288.07567 166.7
[M+NH4]+ 307.11677 177.1
[M+K]+ 328.04611 169.5
[M+H-H2O]+ 272.08021 157.4
[M+HCOO]- 334.08115 177.4
[M+CH3COO]- 348.09680 197.0
[M+Na-2H]- 310.05762 163.4
[M]+ 289.08240 164.8
[M]- 289.08350 164.8
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.