CID 3073446

148712-01-0

Structural Information

Molecular Formula
C25H32N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)N(C3=N2)CCCN4CCC(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C25H32N6O3/c1-27-22-21(23(33)28(2)25(27)34)31-16-11-20(32)30(24(31)26-22)13-6-12-29-14-9-19(10-15-29)17-18-7-4-3-5-8-18/h3-5,7-8,19H,6,9-17H2,1-2H3
InChIKey
RKQFZORCTYAQNP-UHFFFAOYSA-N
Compound name
9-[3-(4-benzylpiperidin-1-yl)propyl]-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.2536 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.26088 217.9
[M+Na]+ 487.24282 232.7
[M+NH4]+ 482.28742 222.1
[M+K]+ 503.21676 226.7
[M-H]- 463.24632 220.5
[M+Na-2H]- 485.22827 221.3
[M]+ 464.25305 220.6
[M]- 464.25415 220.6
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.