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]+ 317.201216 178.5
[M+Na]+ 339.183158 182.9
[M-H]- 315.186664 184.4
[M+NH4]+ 334.227763 189.9
[M+K]+ 355.157098 175.6
[M+H-H2O]+ 299.191200 166.4
[M+HCOO]- 361.192141 193.8
[M+CH3COO]- 375.207791 187.0
[M+Na-2H]- 337.168606 182.9
[M]+ 316.19339142 173.2
[M]- 316.19448858 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.