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 186.7
[M+Na]+ 378.17882 191.6
[M-H]- 354.18232 192.9
[M+NH4]+ 373.22342 196.0
[M+K]+ 394.15276 187.0
[M+H-H2O]+ 338.18686 175.1
[M+HCOO]- 400.18780 205.0
[M+CH3COO]- 414.20345 216.7
[M+Na-2H]- 376.16427 188.7
[M]+ 355.18905 186.1
[M]- 355.19015 186.1
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.