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]+ 344.15242 183.0
[M+Na]+ 366.13436 188.9
[M-H]- 342.13786 189.8
[M+NH4]+ 361.17896 194.2
[M+K]+ 382.10830 182.4
[M+H-H2O]+ 326.14240 171.6
[M+HCOO]- 388.14334 198.0
[M+CH3COO]- 402.15899 192.2
[M+Na-2H]- 364.11981 185.8
[M]+ 343.14459 182.8
[M]- 343.14569 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.