CID 9560153

N-(3-bromo-4-methoxybenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine

Structural Information

Molecular Formula
C19H22BrN3O2
SMILES
COC1=C(C=C(C=C1)/C=N/N2CCN(CC2)C3=CC=CC=C3OC)Br
InChI
InChI=1S/C19H22BrN3O2/c1-24-18-8-7-15(13-16(18)20)14-21-23-11-9-22(10-12-23)17-5-3-4-6-19(17)25-2/h3-8,13-14H,9-12H2,1-2H3/b21-14+
InChIKey
QZKBYCJJLJMWKC-KGENOOAVSA-N
Compound name
(E)-1-(3-bromo-4-methoxyphenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

403.08954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.096816 187.0
[M+Na]+ 426.078758 195.4
[M-H]- 402.082264 196.7
[M+NH4]+ 421.123363 199.2
[M+K]+ 442.052698 183.5
[M+H-H2O]+ 386.086800 182.4
[M+HCOO]- 448.087741 204.6
[M+CH3COO]- 462.103391 221.5
[M+Na-2H]- 424.064206 190.8
[M]+ 403.08899142 205.1
[M]- 403.09008858 205.1
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.