CID 213142

1-(1,2-diphenylethyl)-4-methylpiperazine

Structural Information

Molecular Formula
C19H24N2
SMILES
CN1CCN(CC1)C(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2/c1-20-12-14-21(15-13-20)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKey
NXTSFMFOSFAEGA-UHFFFAOYSA-N
Compound name
1-(1,2-diphenylethyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

280.19394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 169.3
[M+Na]+ 303.18316 172.5
[M-H]- 279.18666 174.5
[M+NH4]+ 298.22776 181.3
[M+K]+ 319.15710 167.2
[M+H-H2O]+ 263.19120 158.3
[M+HCOO]- 325.19214 185.2
[M+CH3COO]- 339.20779 178.3
[M+Na-2H]- 301.16861 172.2
[M]+ 280.19339 163.7
[M]- 280.19449 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe