CID 4254733

Brn 5660252

Structural Information

Molecular Formula
C23H21N5O3
SMILES
CC1=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/C23H21N5O3/c1-14-5-7-15(8-6-14)18-13-27-19-20(25(2)23(30)26(3)21(19)29)24-22(27)28(18)16-9-11-17(31-4)12-10-16/h5-13H,1-4H3
InChIKey
UOIXOULRLFEMRX-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.16443 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17171 204.1
[M+Na]+ 438.15365 219.7
[M-H]- 414.15715 212.8
[M+NH4]+ 433.19825 214.1
[M+K]+ 454.12759 211.8
[M+H-H2O]+ 398.16169 193.2
[M+HCOO]- 460.16263 223.8
[M+CH3COO]- 474.17828 215.1
[M+Na-2H]- 436.13910 203.6
[M]+ 415.16388 213.9
[M]- 415.16498 213.9
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.