CID 1202727

Brn 5665016

Structural Information

Molecular Formula
C23H21N5O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C23H21N5O4/c1-25-20-19(21(29)26(2)23(25)30)27-13-18(14-5-9-16(31-3)10-6-14)28(22(27)24-20)15-7-11-17(32-4)12-8-15/h5-13H,1-4H3
InChIKey
WEBRPBGVDGCQFO-UHFFFAOYSA-N
Compound name
6,7-bis(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

431.15936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16664 205.2
[M+Na]+ 454.14858 223.9
[M+NH4]+ 449.19318 210.4
[M+K]+ 470.12252 220.1
[M-H]- 430.15208 209.2
[M+Na-2H]- 452.13403 212.3
[M]+ 431.15881 209.2
[M]- 431.15991 209.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.