CID 6448938

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

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C19H23N5O2/c1-5-23-17-16(18(25)24(6-2)19(23)26)20-15(21-17)12-9-13-7-10-14(11-8-13)22(3)4/h7-12H,5-6H2,1-4H3,(H,20,21)/b12-9+
InChIKey
OQKSMHSUAOFGOX-FMIVXFBMSA-N
Compound name
8-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,3-diethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

353.18518 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.192456 187.2
[M+Na]+ 376.174398 198.8
[M-H]- 352.177904 191.2
[M+NH4]+ 371.219003 198.1
[M+K]+ 392.148338 191.9
[M+H-H2O]+ 336.182440 177.0
[M+HCOO]- 398.183381 207.2
[M+CH3COO]- 412.199031 219.4
[M+Na-2H]- 374.159846 188.7
[M]+ 353.18463142 192.7
[M]- 353.18572858 192.7
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