CID 9611776

683790-63-8

Structural Information

Molecular Formula
C23H25N7O5
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CN=CC=C3)CC(COC4=CC=C(C=C4)OC)O
InChI
InChI=1S/C23H25N7O5/c1-28-20-19(21(32)29(2)23(28)33)30(22(26-20)27-25-12-15-5-4-10-24-11-15)13-16(31)14-35-18-8-6-17(34-3)7-9-18/h4-12,16,31H,13-14H2,1-3H3,(H,26,27)/b25-12+
InChIKey
GRFGGNPMGJMPKR-BRJLIKDPSA-N
Compound name
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1917 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.19898 214.0
[M+Na]+ 502.18092 227.8
[M+NH4]+ 497.22552 216.1
[M+K]+ 518.15486 224.2
[M-H]- 478.18442 216.8
[M+Na-2H]- 500.16637 220.2
[M]+ 479.19115 216.4
[M]- 479.19225 216.4
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.