CID 1124815

332904-78-6

Structural Information

Molecular Formula
C20H25N5O2
SMILES
CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C20H25N5O2/c1-14-7-9-15(10-8-14)13-25-16-17(22(2)20(27)23(3)18(16)26)21-19(25)24-11-5-4-6-12-24/h7-10H,4-6,11-13H2,1-3H3
InChIKey
REFMVBPDEUDWSB-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-piperidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.20084 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20812 190.8
[M+Na]+ 390.19006 207.0
[M+NH4]+ 385.23466 196.5
[M+K]+ 406.16400 201.2
[M-H]- 366.19356 194.2
[M+Na-2H]- 388.17551 197.3
[M]+ 367.20029 194.0
[M]- 367.20139 194.0
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.