CID 3067872

Brn 0558095

Structural Information

Molecular Formula
C22H23ClN2
SMILES
C1CN(CCN1CCC2=CC=CC3=CC=CC=C32)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H23ClN2/c23-20-8-4-9-21(17-20)25-15-13-24(14-16-25)12-11-19-7-3-6-18-5-1-2-10-22(18)19/h1-10,17H,11-16H2
InChIKey
VWXOFTDJHXSINA-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-(2-naphthalen-1-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.15497 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16225 185.9
[M+Na]+ 373.14419 192.0
[M-H]- 349.14769 191.7
[M+NH4]+ 368.18879 197.1
[M+K]+ 389.11813 183.3
[M+H-H2O]+ 333.15223 174.1
[M+HCOO]- 395.15317 196.6
[M+CH3COO]- 409.16882 194.2
[M+Na-2H]- 371.12964 188.9
[M]+ 350.15442 183.4
[M]- 350.15552 183.4
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.