CID 5048761

Brn 5663090

Structural Information

Molecular Formula
C24H23N5O3
SMILES
CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=C(C=C5)OC)N(C(=O)N(C4=O)C)C
InChI
InChI=1S/C24H23N5O3/c1-5-15-6-8-16(9-7-15)19-14-28-20-21(26(2)24(31)27(3)22(20)30)25-23(28)29(19)17-10-12-18(32-4)13-11-17/h6-14H,5H2,1-4H3
InChIKey
AQYMTXFJRXPNCV-UHFFFAOYSA-N
Compound name
7-(4-ethylphenyl)-6-(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

429.18008 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18736 208.5
[M+Na]+ 452.16930 223.6
[M-H]- 428.17280 217.0
[M+NH4]+ 447.21390 217.8
[M+K]+ 468.14324 215.5
[M+H-H2O]+ 412.17734 197.3
[M+HCOO]- 474.17828 227.7
[M+CH3COO]- 488.19393 219.0
[M+Na-2H]- 450.15475 207.5
[M]+ 429.17953 218.5
[M]- 429.18063 218.5
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.