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 206.4
[M+Na]+ 454.14858 221.5
[M-H]- 430.15208 215.1
[M+NH4]+ 449.19318 215.5
[M+K]+ 470.12252 214.5
[M+H-H2O]+ 414.15662 195.3
[M+HCOO]- 476.15756 226.1
[M+CH3COO]- 490.17321 217.1
[M+Na-2H]- 452.13403 206.1
[M]+ 431.15881 217.4
[M]- 431.15991 217.4
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.