CID 135498032

2,6-dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol

Structural Information

Molecular Formula
C20H25N3O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)/N=C/C3=CC(=C(C(=C3)OC)O)OC
InChI
InChI=1S/C20H25N3O4/c1-25-17-7-5-4-6-16(17)22-8-10-23(11-9-22)21-14-15-12-18(26-2)20(24)19(13-15)27-3/h4-7,12-14,24H,8-11H2,1-3H3/b21-14+
InChIKey
VOTFODZYDPTJJL-KGENOOAVSA-N
Compound name
2,6-dimethoxy-4-[(E)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

371.1845 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.191776 189.9
[M+Na]+ 394.173718 195.5
[M-H]- 370.177224 196.5
[M+NH4]+ 389.218323 198.7
[M+K]+ 410.147658 191.7
[M+H-H2O]+ 354.181760 178.3
[M+HCOO]- 416.182701 208.3
[M+CH3COO]- 430.198351 220.2
[M+Na-2H]- 392.159166 191.3
[M]+ 371.18395142 191.1
[M]- 371.18504858 191.1
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.