CID 21657657

16896-82-5

Structural Information

Molecular Formula
C25H28N2
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H28N2/c1-21-9-8-10-22(19-21)20-26-15-17-27(18-16-26)25(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-14,19,25H,15-18,20H2,1H3
InChIKey
KPNOZWCKPABFIJ-UHFFFAOYSA-N
Compound name
1-benzhydryl-4-[(3-methylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.22525 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.23253 190.3
[M+Na]+ 379.21447 192.9
[M-H]- 355.21797 198.0
[M+NH4]+ 374.25907 198.6
[M+K]+ 395.18841 185.5
[M+H-H2O]+ 339.22251 177.3
[M+HCOO]- 401.22345 205.1
[M+CH3COO]- 415.23910 197.6
[M+Na-2H]- 377.19992 191.5
[M]+ 356.22470 184.1
[M]- 356.22580 184.1
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