CID 4008192

359909-99-2

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CCCCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C22H25N5O2/c1-4-5-13-23-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)14-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,4-5,13-14H2,1-3H3,(H,23,24)
InChIKey
RDLUGDUSTYDPRN-UHFFFAOYSA-N
Compound name
8-(butylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.20084 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 197.5
[M+Na]+ 414.19006 214.1
[M+NH4]+ 409.23466 203.5
[M+K]+ 430.16400 207.1
[M-H]- 390.19356 201.0
[M+Na-2H]- 412.17551 203.6
[M]+ 391.20029 200.9
[M]- 391.20139 200.9
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.