CID 5769114

478252-93-6

Structural Information

Molecular Formula
C15H20ClN5O3
SMILES
C/C(=C\CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C)/Cl
InChI
InChI=1S/C15H20ClN5O3/c1-10(16)4-5-21-11-12(18(2)15(23)19(3)13(11)22)17-14(21)20-6-8-24-9-7-20/h4H,5-9H2,1-3H3/b10-4+
InChIKey
FGVFJBPNBKKAJD-ONNFQVAWSA-N
Compound name
7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.12546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13274 183.4
[M+Na]+ 376.11468 195.2
[M-H]- 352.11818 185.7
[M+NH4]+ 371.15928 192.4
[M+K]+ 392.08862 189.7
[M+H-H2O]+ 336.12272 173.3
[M+HCOO]- 398.12366 192.4
[M+CH3COO]- 412.13931 212.6
[M+Na-2H]- 374.10013 182.7
[M]+ 353.12491 188.1
[M]- 353.12601 188.1
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.