CID 3055682

Brn 1182180

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H25N5O2/c1-26-21-20(22(29)27(2)23(26)30)28(16-25-21)15-9-14-24-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16,19,24H,9,14-15H2,1-2H3
InChIKey
JMIVCYRTGWQZGI-UHFFFAOYSA-N
Compound name
7-[3-(benzhydrylamino)propyl]-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 198.1
[M+Na]+ 426.19006 214.3
[M+NH4]+ 421.23466 203.7
[M+K]+ 442.16400 207.8
[M-H]- 402.19356 202.8
[M+Na-2H]- 424.17551 207.0
[M]+ 403.20029 201.8
[M]- 403.20139 201.8
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.