CID 651947

Mls000034933

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3
InChI
InChI=1S/C19H25N5O2/c1-5-11-24-15(13-21(2)12-14-9-7-6-8-10-14)20-17-16(24)18(25)23(4)19(26)22(17)3/h6-10H,5,11-13H2,1-4H3
InChIKey
YXUWZBOASXLGTC-UHFFFAOYSA-N
Compound name
8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

355.20084 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20812 185.9
[M+Na]+ 378.19006 200.9
[M+NH4]+ 373.23466 191.3
[M+K]+ 394.16400 195.7
[M-H]- 354.19356 188.4
[M+Na-2H]- 376.17551 192.1
[M]+ 355.20029 188.7
[M]- 355.20139 188.7
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.