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
3
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]+ 407.219006 202.3
[M+Na]+ 429.200948 213.7
[M-H]- 405.204454 206.6
[M+NH4]+ 424.245553 210.0
[M+K]+ 445.174888 204.6
[M+H-H2O]+ 389.208990 190.5
[M+HCOO]- 451.209931 215.4
[M+CH3COO]- 465.225581 210.4
[M+Na-2H]- 427.186396 200.2
[M]+ 406.21118142 204.3
[M]- 406.21227858 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

patents stripe