CID 3152865

476480-07-6

Structural Information

Molecular Formula
C23H23N7O2
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H23N7O2/c1-28-20-19(21(31)27-23(28)32)30(14-17-8-4-7-16-6-2-3-9-18(16)17)22(26-20)25-10-5-12-29-13-11-24-15-29/h2-4,6-9,11,13,15H,5,10,12,14H2,1H3,(H,25,26)(H,27,31,32)
InChIKey
OLTJGWSCYFEEPI-UHFFFAOYSA-N
Compound name
8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1913 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.19858 203.0
[M+Na]+ 452.18052 219.7
[M+NH4]+ 447.22512 207.7
[M+K]+ 468.15446 215.4
[M-H]- 428.18402 206.6
[M+Na-2H]- 450.16597 210.7
[M]+ 429.19075 206.4
[M]- 429.19185 206.4
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.