CID 216530

2-(4-diphenylmethyl-1-piperazinyl)-9h-purine dimethanesulfonate

Structural Information

Molecular Formula
C22H22N6
SMILES
C1CN(CCN1C2=NC=C3C(=N2)N=CN3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H22N6/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)27-11-13-28(14-12-27)22-23-15-19-21(26-22)25-16-24-19/h1-10,15-16,20H,11-14H2,(H,23,24,25,26)
InChIKey
OIXPLFWCBQCQDS-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.19058 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19786 188.5
[M+Na]+ 393.17980 194.2
[M-H]- 369.18330 192.0
[M+NH4]+ 388.22440 192.8
[M+K]+ 409.15374 184.7
[M+H-H2O]+ 353.18784 173.9
[M+HCOO]- 415.18878 199.1
[M+CH3COO]- 429.20443 194.7
[M+Na-2H]- 391.16525 191.7
[M]+ 370.19003 182.7
[M]- 370.19113 182.7
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.