CID 135492297

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

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC(=C(C(=C3)OC)O)OC
InChI
InChI=1S/C21H27N3O3/c1-16-4-6-17(7-5-16)15-23-8-10-24(11-9-23)22-14-18-12-19(26-2)21(25)20(13-18)27-3/h4-7,12-14,25H,8-11,15H2,1-3H3/b22-14+
InChIKey
YKOHJTAMXQFELQ-HYARGMPZSA-N
Compound name
2,6-dimethoxy-4-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

369.20523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 191.8
[M+Na]+ 392.19445 197.1
[M-H]- 368.19795 198.1
[M+NH4]+ 387.23905 200.8
[M+K]+ 408.16839 192.4
[M+H-H2O]+ 352.20249 180.2
[M+HCOO]- 414.20343 209.7
[M+CH3COO]- 428.21908 220.9
[M+Na-2H]- 390.17990 192.5
[M]+ 369.20468 191.9
[M]- 369.20578 191.9
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.