CID 5347681

303095-50-3

Structural Information

Molecular Formula
C18H20BrN3O
SMILES
COC1=C(C=C(C=C1)/C=N/N2CCN(CC2)C3=CC=CC=C3)Br
InChI
InChI=1S/C18H20BrN3O/c1-23-18-8-7-15(13-17(18)19)14-20-22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/b20-14+
InChIKey
DXCBZBCVRRSISO-XSFVSMFZSA-N
Compound name
(E)-1-(3-bromo-4-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

373.07898 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.086256 179.8
[M+Na]+ 396.068198 188.0
[M-H]- 372.071704 189.3
[M+NH4]+ 391.112803 193.1
[M+K]+ 412.042138 175.7
[M+H-H2O]+ 356.076240 175.6
[M+HCOO]- 418.077181 197.7
[M+CH3COO]- 432.092831 191.2
[M+Na-2H]- 394.053646 184.8
[M]+ 373.07843142 196.0
[M]- 373.07952858 196.0
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.