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 187.0
[M+Na]+ 426.07876 195.4
[M-H]- 402.08226 196.7
[M+NH4]+ 421.12336 199.2
[M+K]+ 442.05270 183.5
[M+H-H2O]+ 386.08680 182.4
[M+HCOO]- 448.08774 204.6
[M+CH3COO]- 462.10339 221.5
[M+Na-2H]- 424.06421 190.8
[M]+ 403.08899 205.1
[M]- 403.09009 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.