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 195.1
[M+Na]+ 407.19546 201.6
[M-H]- 383.19896 200.0
[M+NH4]+ 402.24006 199.7
[M+K]+ 423.16940 192.6
[M+H-H2O]+ 367.20350 180.0
[M+HCOO]- 429.20444 206.7
[M+CH3COO]- 443.22009 201.7
[M+Na-2H]- 405.18091 197.0
[M]+ 384.20569 191.6
[M]- 384.20679 191.6
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.