CID 5343150

304908-79-0

Structural Information

Molecular Formula
C18H20ClN3
SMILES
C1CN(CCN1CC2=CC=CC=C2)/N=C/C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H20ClN3/c19-18-8-4-7-17(13-18)14-20-22-11-9-21(10-12-22)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/b20-14+
InChIKey
KBUIURUSSHIMGT-XSFVSMFZSA-N
Compound name
(E)-N-(4-benzylpiperazin-1-yl)-1-(3-chlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

313.13458 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14186 175.1
[M+Na]+ 336.12380 180.6
[M-H]- 312.12730 181.6
[M+NH4]+ 331.16840 187.3
[M+K]+ 352.09774 173.7
[M+H-H2O]+ 296.13184 163.8
[M+HCOO]- 358.13278 190.3
[M+CH3COO]- 372.14843 184.6
[M+Na-2H]- 334.10925 179.2
[M]+ 313.13403 172.7
[M]- 313.13513 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.