CID 6879861

(e)-4-(4-chlorophenyl)-n-(2,5-dimethoxybenzylidene)piperazin-1-amine

Structural Information

Molecular Formula
C19H22ClN3O2
SMILES
COC1=CC(=C(C=C1)OC)/C=N/N2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3O2/c1-24-18-7-8-19(25-2)15(13-18)14-21-23-11-9-22(10-12-23)17-5-3-16(20)4-6-17/h3-8,13-14H,9-12H2,1-2H3/b21-14+
InChIKey
HPKFKJZMHQCMNS-KGENOOAVSA-N
Compound name
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

359.14005 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.147326 186.2
[M+Na]+ 382.129268 192.9
[M-H]- 358.132774 193.5
[M+NH4]+ 377.173873 197.0
[M+K]+ 398.103208 187.1
[M+H-H2O]+ 342.137310 174.9
[M+HCOO]- 404.138251 201.4
[M+CH3COO]- 418.153901 217.5
[M+Na-2H]- 380.114716 188.4
[M]+ 359.13950142 187.8
[M]- 359.14059858 187.8
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.