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]+ 369.20336 193.0
[M+Na]+ 391.18530 202.8
[M-H]- 367.18880 195.3
[M+NH4]+ 386.22990 199.1
[M+K]+ 407.15924 194.8
[M+H-H2O]+ 351.19334 180.9
[M+HCOO]- 413.19428 204.2
[M+CH3COO]- 427.20993 200.7
[M+Na-2H]- 389.17075 192.1
[M]+ 368.19553 192.1
[M]- 368.19663 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.