CID 71304

Tameridone

Structural Information

Molecular Formula
C22H26N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H26N6O2/c1-25-20-19(21(29)26(2)22(25)30)28(14-24-20)12-11-27-9-7-15(8-10-27)17-13-23-18-6-4-3-5-16(17)18/h3-6,13-15,23H,7-12H2,1-2H3
InChIKey
OJOSYHJYEWUYGU-UHFFFAOYSA-N
Compound name
7-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

40
Patents

406.21173 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.21901 202.3
[M+Na]+ 429.20095 213.7
[M-H]- 405.20445 206.6
[M+NH4]+ 424.24555 210.0
[M+K]+ 445.17489 204.6
[M+H-H2O]+ 389.20899 190.5
[M+HCOO]- 451.20993 215.4
[M+CH3COO]- 465.22558 210.4
[M+Na-2H]- 427.18640 200.2
[M]+ 406.21118 204.3
[M]- 406.21228 204.3
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.