CID 212790

24926-63-4

Structural Information

Molecular Formula
C24H26N6
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4NC=N5
InChI
InChI=1S/C24H26N6/c1-3-7-19(8-4-1)21(20-9-5-2-6-10-20)11-12-29-13-15-30(16-14-29)24-22-23(26-17-25-22)27-18-28-24/h1-10,17-18,21H,11-16H2,(H,25,26,27,28)
InChIKey
IDZZPIGRJYPIIM-UHFFFAOYSA-N
Compound name
6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2219 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22918 196.5
[M+Na]+ 421.21112 201.2
[M-H]- 397.21462 199.5
[M+NH4]+ 416.25572 199.5
[M+K]+ 437.18506 191.4
[M+H-H2O]+ 381.21916 181.4
[M+HCOO]- 443.22010 206.4
[M+CH3COO]- 457.23575 201.8
[M+Na-2H]- 419.19657 198.6
[M]+ 398.22135 191.2
[M]- 398.22245 191.2
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.