CID 120549

Brn 0545473

Structural Information

Molecular Formula
C21H22N2
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2/c1-2-10-20(11-3-1)23-15-13-22(14-16-23)17-19-9-6-8-18-7-4-5-12-21(18)19/h1-12H,13-17H2
InChIKey
VNQAHNFMWPAXAO-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylmethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 174.0
[M+Na]+ 325.16750 178.9
[M-H]- 301.17100 180.1
[M+NH4]+ 320.21210 186.1
[M+K]+ 341.14144 171.8
[M+H-H2O]+ 285.17554 162.2
[M+HCOO]- 347.17648 189.8
[M+CH3COO]- 361.19213 183.0
[M+Na-2H]- 323.15295 179.1
[M]+ 302.17773 168.5
[M]- 302.17883 168.5
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.