CID 5343163

(4-benzyl-piperazin-1-yl)-[1-(4-bromo-phenyl)-ethylidene]-amine

Structural Information

Molecular Formula
C19H22BrN3
SMILES
C/C(=N/N1CCN(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H22BrN3/c1-16(18-7-9-19(20)10-8-18)21-23-13-11-22(12-14-23)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/b21-16-
InChIKey
HZYPLSBPUQVTDH-PGMHBOJBSA-N
Compound name
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

371.0997 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10698 181.5
[M+Na]+ 394.08892 188.3
[M-H]- 370.09242 190.6
[M+NH4]+ 389.13352 194.6
[M+K]+ 410.06286 175.6
[M+H-H2O]+ 354.09696 177.3
[M+HCOO]- 416.09790 197.9
[M+CH3COO]- 430.11355 192.2
[M+Na-2H]- 392.07437 185.6
[M]+ 371.09915 195.8
[M]- 371.10025 195.8
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.