CID 120955

Brn 0548476

Structural Information

Molecular Formula
C22H24N2
SMILES
C1CN(CCN1CCC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2/c1-2-10-21(11-3-1)24-17-15-23(16-18-24)14-13-20-9-6-8-19-7-4-5-12-22(19)20/h1-12H,13-18H2
InChIKey
YDOJERJDAHMHRU-UHFFFAOYSA-N
Compound name
1-(2-naphthalen-1-ylethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20122 178.5
[M+Na]+ 339.18316 182.9
[M-H]- 315.18666 184.4
[M+NH4]+ 334.22776 189.9
[M+K]+ 355.15710 175.6
[M+H-H2O]+ 299.19120 166.4
[M+HCOO]- 361.19214 193.8
[M+CH3COO]- 375.20779 187.0
[M+Na-2H]- 337.16861 182.9
[M]+ 316.19339 173.2
[M]- 316.19449 173.2
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.