CID 3759838

Brn 5658959

Structural Information

Molecular Formula
C20H23N5O3
SMILES
CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H23N5O3/c1-5-6-11-24-15(13-7-9-14(28-4)10-8-13)12-25-16-17(21-19(24)25)22(2)20(27)23(3)18(16)26/h7-10,12H,5-6,11H2,1-4H3
InChIKey
AEARQJCHWZHBBF-UHFFFAOYSA-N
Compound name
6-butyl-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

381.18008 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 193.4
[M+Na]+ 404.16930 210.0
[M+NH4]+ 399.21390 198.5
[M+K]+ 420.14324 206.6
[M-H]- 380.17280 194.9
[M+Na-2H]- 402.15475 198.1
[M]+ 381.17953 196.2
[M]- 381.18063 196.2
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.