CID 3055687

1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((diphenylmethyl)methylamino)ethyl)-

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H25N5O2/c1-25(19(17-10-6-4-7-11-17)18-12-8-5-9-13-18)14-15-28-16-24-21-20(28)22(29)27(3)23(30)26(21)2/h4-13,16,19H,14-15H2,1-3H3
InChIKey
VAESROSQRYCZJT-UHFFFAOYSA-N
Compound name
7-[2-[benzhydryl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.20084 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.208116 199.2
[M+Na]+ 426.190058 208.7
[M-H]- 402.193564 207.0
[M+NH4]+ 421.234663 207.5
[M+K]+ 442.163998 202.3
[M+H-H2O]+ 386.198100 186.7
[M+HCOO]- 448.199041 219.1
[M+CH3COO]- 462.214691 208.7
[M+Na-2H]- 424.175506 201.0
[M]+ 403.20029142 204.6
[M]- 403.20138858 204.6
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.