CID 649234

7-benzyl-1,3-dimethyl-8-morpholin-4-ylmethyl-3,7-dihydro-purine-2,6-dione

Structural Information

Molecular Formula
C19H23N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCOCC3)CC4=CC=CC=C4
InChI
InChI=1S/C19H23N5O3/c1-21-17-16(18(25)22(2)19(21)26)24(12-14-6-4-3-5-7-14)15(20-17)13-23-8-10-27-11-9-23/h3-7H,8-13H2,1-2H3
InChIKey
ANSJTDUMTDUZBT-UHFFFAOYSA-N
Compound name
7-benzyl-1,3-dimethyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

369.18008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 188.9
[M+Na]+ 392.16930 204.9
[M+NH4]+ 387.21390 194.0
[M+K]+ 408.14324 200.0
[M-H]- 368.17280 193.1
[M+Na-2H]- 390.15475 194.9
[M]+ 369.17953 192.3
[M]- 369.18063 192.3
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.