CID 3055689

Brn 1183902

Structural Information

Molecular Formula
C24H27N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN(C)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N5O2/c1-26(20(18-11-6-4-7-12-18)19-13-8-5-9-14-19)15-10-16-29-17-25-22-21(29)23(30)28(3)24(31)27(22)2/h4-9,11-14,17,20H,10,15-16H2,1-3H3
InChIKey
OLHPHNOALUPTBS-UHFFFAOYSA-N
Compound name
7-[3-[benzhydryl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.21646 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.22374 203.6
[M+Na]+ 440.20568 212.6
[M-H]- 416.20918 211.2
[M+NH4]+ 435.25028 211.2
[M+K]+ 456.17962 206.0
[M+H-H2O]+ 400.21372 190.9
[M+HCOO]- 462.21466 223.1
[M+CH3COO]- 476.23031 212.6
[M+Na-2H]- 438.19113 204.9
[M]+ 417.21591 209.3
[M]- 417.21701 209.3
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.