CID 6448886

1h-purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-methoxy-3-methylphenyl)ethenyl)-, (e)-

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3)OC)C
InChI
InChI=1S/C19H22N4O3/c1-5-22-17-16(18(24)23(6-2)19(22)25)20-15(21-17)10-8-13-7-9-14(26-4)12(3)11-13/h7-11H,5-6H2,1-4H3,(H,20,21)/b10-8+
InChIKey
FZMMLLRHOWGFLZ-CSKARUKUSA-N
Compound name
1,3-diethyl-8-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

354.1692 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.176476 187.1
[M+Na]+ 377.158418 200.1
[M-H]- 353.161924 189.9
[M+NH4]+ 372.203023 197.8
[M+K]+ 393.132358 192.6
[M+H-H2O]+ 337.166460 177.4
[M+HCOO]- 399.167401 205.6
[M+CH3COO]- 413.183051 214.6
[M+Na-2H]- 375.143866 187.7
[M]+ 354.16865142 193.7
[M]- 354.16974858 193.7
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

patents stripe