CID 3152868

476480-19-0

Structural Information

Molecular Formula
C19H24N6O2
SMILES
CC(C1=CC=CC=C1)N2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C
InChI
InChI=1S/C19H24N6O2/c1-13(14-7-5-4-6-8-14)25-15-16(23(3)19(27)21-17(15)26)20-18(25)24-11-9-22(2)10-12-24/h4-8,13H,9-12H2,1-3H3,(H,21,26,27)
InChIKey
AXRQHNKTAMWTDL-UHFFFAOYSA-N
Compound name
3-methyl-8-(4-methylpiperazin-1-yl)-7-(1-phenylethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

368.19608 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.203356 193.0
[M+Na]+ 391.185298 202.8
[M-H]- 367.188804 195.3
[M+NH4]+ 386.229903 199.1
[M+K]+ 407.159238 194.8
[M+H-H2O]+ 351.193340 180.9
[M+HCOO]- 413.194281 204.2
[M+CH3COO]- 427.209931 200.7
[M+Na-2H]- 389.170746 192.1
[M]+ 368.19553142 192.1
[M]- 368.19662858 192.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.