CID 3064737

105522-67-6

Structural Information

Molecular Formula
C23H26N6O4
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C3=CC=C(O3)CN4CCOCC4)CC5=CC=CC=C5
InChI
InChI=1S/C23H26N6O4/c1-26(18-9-8-17(33-18)15-28-10-12-32-13-11-28)22-24-20-19(21(30)25-23(31)27(20)2)29(22)14-16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3,(H,25,30,31)
InChIKey
HMWVBWSMXXWVNC-UHFFFAOYSA-N
Compound name
7-benzyl-3-methyl-8-[methyl-[5-(morpholin-4-ylmethyl)furan-2-yl]amino]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.20154 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.20882 207.2
[M+Na]+ 473.19076 215.4
[M-H]- 449.19426 217.0
[M+NH4]+ 468.23536 210.2
[M+K]+ 489.16470 211.3
[M+H-H2O]+ 433.19880 195.3
[M+HCOO]- 495.19974 221.5
[M+CH3COO]- 509.21539 215.2
[M+Na-2H]- 471.17621 205.1
[M]+ 450.20099 210.4
[M]- 450.20209 210.4
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.