CID 6479137

Chembl3143607

Structural Information

Molecular Formula
C12H17N3O4
SMILES
C/C=C/C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H17N3O4/c1-2-3-7-5-15(12(18)14-11(7)13)10-4-8(17)9(6-16)19-10/h2-3,5,8-10,16-17H,4,6H2,1H3,(H2,13,14,18)/b3-2+/t8-,9+,10+/m0/s1
InChIKey
KATMTGGBSHKNTC-YJCWOPNRSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

267.12192 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 161.2
[M+Na]+ 290.11114 169.7
[M-H]- 266.11464 163.6
[M+NH4]+ 285.15574 174.1
[M+K]+ 306.08508 166.3
[M+H-H2O]+ 250.11918 153.6
[M+HCOO]- 312.12012 179.0
[M+CH3COO]- 326.13577 194.2
[M+Na-2H]- 288.09659 161.4
[M]+ 267.12137 159.9
[M]- 267.12247 159.9
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.