CID 5158066

Brn 5669223

Structural Information

Molecular Formula
C24H23N5O4
SMILES
CCOC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)OC
InChI
InChI=1S/C24H23N5O4/c1-5-33-18-12-8-16(9-13-18)29-19(15-6-10-17(32-4)11-7-15)14-28-20-21(25-23(28)29)26(2)24(31)27(3)22(20)30/h6-14H,5H2,1-4H3
InChIKey
QVWSPHUHEBKDGB-UHFFFAOYSA-N
Compound name
6-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.17502 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 210.7
[M+Na]+ 468.16424 225.3
[M-H]- 444.16774 219.2
[M+NH4]+ 463.20884 219.2
[M+K]+ 484.13818 218.1
[M+H-H2O]+ 428.17228 199.4
[M+HCOO]- 490.17322 230.0
[M+CH3COO]- 504.18887 221.0
[M+Na-2H]- 466.14969 209.9
[M]+ 445.17447 222.0
[M]- 445.17557 222.0
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.