CID 3317555

476480-49-6

Structural Information

Molecular Formula
C22H23N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C22H23N5O2/c1-24-19-18(20(28)25(2)22(24)29)27(21(23-19)26-12-5-6-13-26)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,7-11H,5-6,12-14H2,1-2H3
InChIKey
RGSJFXGFKIKCPS-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-pyrrolidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.18518 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 194.9
[M+Na]+ 412.17440 211.5
[M+NH4]+ 407.21900 201.3
[M+K]+ 428.14834 207.1
[M-H]- 388.17790 198.9
[M+Na-2H]- 410.15985 201.3
[M]+ 389.18463 198.4
[M]- 389.18573 198.4
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.