CID 1124814

332904-77-5

Structural Information

Molecular Formula
C20H26N6O2
SMILES
CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C20H26N6O2/c1-14-5-7-15(8-6-14)13-26-16-17(23(3)20(28)24(4)18(16)27)21-19(26)25-11-9-22(2)10-12-25/h5-8H,9-13H2,1-4H3
InChIKey
GPRWVFCISPATTO-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.21173 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21901 196.0
[M+Na]+ 405.20095 212.3
[M+NH4]+ 400.24555 200.8
[M+K]+ 421.17489 207.0
[M-H]- 381.20445 198.7
[M+Na-2H]- 403.18640 201.7
[M]+ 382.21118 199.1
[M]- 382.21228 199.1
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.