CID 474669

Chembl317525

Structural Information

Molecular Formula
C11H15N3O4
SMILES
C=C[C@]1([C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O)CO
InChI
InChI=1S/C11H15N3O4/c1-2-11(6-15)7(16)5-9(18-11)14-4-3-8(12)13-10(14)17/h2-4,7,9,15-16H,1,5-6H2,(H2,12,13,17)/t7-,9+,11+/m0/s1
InChIKey
NUDUIFFMUBEGGI-JVUFJMBOSA-N
Compound name
4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

253.10626 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11354 154.2
[M+Na]+ 276.09548 163.2
[M-H]- 252.09898 156.7
[M+NH4]+ 271.14008 169.4
[M+K]+ 292.06942 160.3
[M+H-H2O]+ 236.10352 147.5
[M+HCOO]- 298.10446 172.5
[M+CH3COO]- 312.12011 190.0
[M+Na-2H]- 274.08093 157.2
[M]+ 253.10571 152.8
[M]- 253.10681 152.8
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

patents stripe