CID 212802

24933-13-9

Structural Information

Molecular Formula
C25H26N6
SMILES
C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H26N6/c1-2-13-31-19-27-22-18-26-25(28-24(22)31)30-16-14-29(15-17-30)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-12,18-19,23H,1,13-17H2
InChIKey
GUIRUSNOELWOOG-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-9-prop-2-enylpurine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2219 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22918 202.8
[M+Na]+ 433.21112 208.7
[M-H]- 409.21462 207.3
[M+NH4]+ 428.25572 206.2
[M+K]+ 449.18506 198.7
[M+H-H2O]+ 393.21916 187.3
[M+HCOO]- 455.22010 213.9
[M+CH3COO]- 469.23575 208.6
[M+Na-2H]- 431.19657 203.7
[M]+ 410.22135 199.2
[M]- 410.22245 199.2
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.