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]+ 446.182296 210.7
[M+Na]+ 468.164238 225.3
[M-H]- 444.167744 219.2
[M+NH4]+ 463.208843 219.2
[M+K]+ 484.138178 218.1
[M+H-H2O]+ 428.172280 199.4
[M+HCOO]- 490.173221 230.0
[M+CH3COO]- 504.188871 221.0
[M+Na-2H]- 466.149686 209.9
[M]+ 445.17447142 222.0
[M]- 445.17556858 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.