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]+ 404.09682 187.6
[M+Na]+ 426.07876 192.1
[M+NH4]+ 421.12336 191.3
[M+K]+ 442.05270 189.8
[M-H]- 402.08226 191.5
[M+Na-2H]- 424.06421 192.7
[M]+ 403.08899 188.2
[M]- 403.09009 188.2
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.