CID 135631971

4-(((4-benzyl-1-piperazinyl)imino)methyl)-2,6-dimethoxyphenol

Structural Information

Molecular Formula
C20H25N3O3
SMILES
COC1=CC(=CC(=C1O)OC)/C=N/N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H25N3O3/c1-25-18-12-17(13-19(26-2)20(18)24)14-21-23-10-8-22(9-11-23)15-16-6-4-3-5-7-16/h3-7,12-14,24H,8-11,15H2,1-2H3/b21-14+
InChIKey
VXTCLMIBILHGHD-KGENOOAVSA-N
Compound name
4-[(E)-(4-benzylpiperazin-1-yl)iminomethyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 187.6
[M+Na]+ 378.17882 200.9
[M+NH4]+ 373.22342 194.1
[M+K]+ 394.15276 193.0
[M-H]- 354.18232 192.9
[M+Na-2H]- 376.16427 195.5
[M]+ 355.18905 190.9
[M]- 355.19015 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.