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]+ 451.208816 207.2
[M+Na]+ 473.190758 215.4
[M-H]- 449.194264 217.0
[M+NH4]+ 468.235363 210.2
[M+K]+ 489.164698 211.3
[M+H-H2O]+ 433.198800 195.3
[M+HCOO]- 495.199741 221.5
[M+CH3COO]- 509.215391 215.2
[M+Na-2H]- 471.176206 205.1
[M]+ 450.20099142 210.4
[M]- 450.20208858 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.