CID 1640356

1,4-dibenzhydrylpiperazine

Structural Information

Molecular Formula
C30H30N2
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H30N2/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)31-21-23-32(24-22-31)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
InChIKey
FLOADUFBZDDTPV-UHFFFAOYSA-N
Compound name
1,4-dibenzhydrylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

418.2409 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24818 205.0
[M+Na]+ 441.23012 205.0
[M-H]- 417.23362 214.4
[M+NH4]+ 436.27472 209.2
[M+K]+ 457.20406 196.6
[M+H-H2O]+ 401.23816 190.1
[M+HCOO]- 463.23910 217.7
[M+CH3COO]- 477.25475 210.1
[M+Na-2H]- 439.21557 205.4
[M]+ 418.24035 196.3
[M]- 418.24145 196.3
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

patents stripe