CID 120957

Brn 0558011

Structural Information

Molecular Formula
C21H21ClN2
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H21ClN2/c22-19-8-10-20(11-9-19)24-14-12-23(13-15-24)16-18-6-3-5-17-4-1-2-7-21(17)18/h1-11H,12-16H2
InChIKey
LDMLGWZGJOFCOV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-(naphthalen-1-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1393 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14658 181.4
[M+Na]+ 359.12852 188.0
[M-H]- 335.13202 187.5
[M+NH4]+ 354.17312 193.3
[M+K]+ 375.10246 179.6
[M+H-H2O]+ 319.13656 169.9
[M+HCOO]- 381.13750 192.5
[M+CH3COO]- 395.15315 190.2
[M+Na-2H]- 357.11397 185.1
[M]+ 336.13875 178.7
[M]- 336.13985 178.7
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.