CID 651947

585552-22-3

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]+ 356.208116 187.5
[M+Na]+ 378.190058 199.1
[M-H]- 354.193564 192.7
[M+NH4]+ 373.234663 199.0
[M+K]+ 394.163998 193.6
[M+H-H2O]+ 338.198100 176.8
[M+HCOO]- 400.199041 208.8
[M+CH3COO]- 414.214691 223.0
[M+Na-2H]- 376.175506 189.4
[M]+ 355.20029142 195.5
[M]- 355.20138858 195.5
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.