CID 6475205

Cvdc, (e)-

Structural Information

Molecular Formula
C11H14ClN3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)/C=C/Cl)CO)O
InChI
InChI=1S/C11H14ClN3O4/c12-2-1-6-4-15(11(18)14-10(6)13)9-3-7(17)8(5-16)19-9/h1-2,4,7-9,16-17H,3,5H2,(H2,13,14,18)/b2-1+/t7-,8+,9+/m0/s1
InChIKey
DCWUQHLHCBQOAM-PIXDULNESA-N
Compound name
4-amino-5-[(E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

287.0673 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07458 163.4
[M+Na]+ 310.05652 172.9
[M-H]- 286.06002 165.7
[M+NH4]+ 305.10112 176.3
[M+K]+ 326.03046 168.1
[M+H-H2O]+ 270.06456 156.5
[M+HCOO]- 332.06550 176.9
[M+CH3COO]- 346.08115 194.9
[M+Na-2H]- 308.04197 163.6
[M]+ 287.06675 163.7
[M]- 287.06785 163.7
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