CID 3052976

9h-purine, 2-(4-benzhydryl-1-piperazinyl)-9-methyl-, dihydrochloride

Structural Information

Molecular Formula
C23H24N6
SMILES
CN1C=NC2=CN=C(N=C21)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H24N6/c1-27-17-25-20-16-24-23(26-22(20)27)29-14-12-28(13-15-29)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,21H,12-15H2,1H3
InChIKey
PNRHJXRSVIYITJ-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-9-methylpurine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.20624 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21352 193.4
[M+Na]+ 407.19546 210.7
[M+NH4]+ 402.24006 200.4
[M+K]+ 423.16940 203.4
[M-H]- 383.19896 199.5
[M+Na-2H]- 405.18091 204.5
[M]+ 384.20569 197.7
[M]- 384.20679 197.7
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.