CID 5343107

(4-(2-chloro-benzyl)-piperazin-1-yl)-(2-methoxy-benzylidene)-amine

Structural Information

Molecular Formula
C19H22ClN3O
SMILES
COC1=CC=CC=C1/C=N/N2CCN(CC2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C19H22ClN3O/c1-24-19-9-5-3-6-16(19)14-21-23-12-10-22(11-13-23)15-17-7-2-4-8-18(17)20/h2-9,14H,10-13,15H2,1H3/b21-14+
InChIKey
XTUYRHZGUBVRJJ-KGENOOAVSA-N
Compound name
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(2-methoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

343.14514 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.152416 183.0
[M+Na]+ 366.134358 188.9
[M-H]- 342.137864 189.8
[M+NH4]+ 361.178963 194.2
[M+K]+ 382.108298 182.4
[M+H-H2O]+ 326.142400 171.6
[M+HCOO]- 388.143341 198.0
[M+CH3COO]- 402.158991 192.2
[M+Na-2H]- 364.119806 185.8
[M]+ 343.14459142 182.8
[M]- 343.14568858 182.8
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.