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]+ 372.19178 189.9
[M+Na]+ 394.17372 195.5
[M-H]- 370.17722 196.5
[M+NH4]+ 389.21832 198.7
[M+K]+ 410.14766 191.7
[M+H-H2O]+ 354.18176 178.3
[M+HCOO]- 416.18270 208.3
[M+CH3COO]- 430.19835 220.2
[M+Na-2H]- 392.15917 191.3
[M]+ 371.18395 191.1
[M]- 371.18505 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.