CID 13383651

Brn 5663437

Structural Information

Molecular Formula
C23H27N5O2
SMILES
CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5CCCCC5)N(C(=O)N(C4=O)C)C
InChI
InChI=1S/C23H27N5O2/c1-4-15-10-12-16(13-11-15)18-14-27-19-20(25(2)23(30)26(3)21(19)29)24-22(27)28(18)17-8-6-5-7-9-17/h10-14,17H,4-9H2,1-3H3
InChIKey
LPQAFDPPUSGTOU-UHFFFAOYSA-N
Compound name
6-cyclohexyl-7-(4-ethylphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.21646 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 200.3
[M+Na]+ 428.20568 217.1
[M+NH4]+ 423.25028 206.6
[M+K]+ 444.17962 212.6
[M-H]- 404.20918 204.4
[M+Na-2H]- 426.19113 206.1
[M]+ 405.21591 203.9
[M]- 405.21701 203.9
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.