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]+ 356.196876 186.7
[M+Na]+ 378.178818 191.6
[M-H]- 354.182324 192.9
[M+NH4]+ 373.223423 196.0
[M+K]+ 394.152758 187.0
[M+H-H2O]+ 338.186860 175.1
[M+HCOO]- 400.187801 205.0
[M+CH3COO]- 414.203451 216.7
[M+Na-2H]- 376.164266 188.7
[M]+ 355.18905142 186.1
[M]- 355.19014858 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.