CID 662859

577996-51-1

Structural Information

Molecular Formula
C21H29N5O2
SMILES
CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3
InChI
InChI=1S/C21H29N5O2/c1-5-6-10-13-26-17(15-23(2)14-16-11-8-7-9-12-16)22-19-18(26)20(27)25(4)21(28)24(19)3/h7-9,11-12H,5-6,10,13-15H2,1-4H3
InChIKey
YNXOANJOXGHSBS-UHFFFAOYSA-N
Compound name
8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

383.23212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23940 194.8
[M+Na]+ 406.22134 209.4
[M+NH4]+ 401.26594 199.9
[M+K]+ 422.19528 203.7
[M-H]- 382.22484 197.2
[M+Na-2H]- 404.20679 200.5
[M]+ 383.23157 197.5
[M]- 383.23267 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.