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

literature stripe

Patent stripe

patents stripe