CID 6448920

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

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC=C(C=C3)OCOC
InChI
InChI=1S/C19H22N4O4/c1-4-22-17-16(18(24)23(5-2)19(22)25)20-15(21-17)11-8-13-6-9-14(10-7-13)27-12-26-3/h6-11H,4-5,12H2,1-3H3,(H,20,21)/b11-8+
InChIKey
LVQXYUPOGJMOIE-DHZHZOJOSA-N
Compound name
1,3-diethyl-8-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

370.1641 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.171376 189.1
[M+Na]+ 393.153318 200.8
[M-H]- 369.156824 191.5
[M+NH4]+ 388.197923 198.7
[M+K]+ 409.127258 194.1
[M+H-H2O]+ 353.161360 178.9
[M+HCOO]- 415.162301 207.8
[M+CH3COO]- 429.177951 215.5
[M+Na-2H]- 391.138766 190.7
[M]+ 370.16355142 196.6
[M]- 370.16464858 196.6
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