CID 506142

Cedc

Structural Information

Molecular Formula
C11H16ClN3O4
SMILES
C1C(C(OC1N2C=C(C(=NC2=O)N)CCCl)CO)O
InChI
InChI=1S/C11H16ClN3O4/c12-2-1-6-4-15(11(18)14-10(6)13)9-3-7(17)8(5-16)19-9/h4,7-9,16-17H,1-3,5H2,(H2,13,14,18)
InChIKey
KQDWMXVMXQCPIZ-UHFFFAOYSA-N
Compound name
4-amino-5-(2-chloroethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

289.08295 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09023 163.8
[M+Na]+ 312.07217 172.9
[M-H]- 288.07567 166.0
[M+NH4]+ 307.11677 176.6
[M+K]+ 328.04611 168.7
[M+H-H2O]+ 272.08021 156.8
[M+HCOO]- 334.08115 177.0
[M+CH3COO]- 348.09680 196.3
[M+Na-2H]- 310.05762 164.0
[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.