CID 135492293

303102-39-8

Structural Information

Molecular Formula
C24H27N3O3
SMILES
COC1=CC(=CC(=C1O)OC)/C=N/N2CCN(CC2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H27N3O3/c1-29-22-14-18(15-23(30-2)24(22)28)16-25-27-12-10-26(11-13-27)17-20-8-5-7-19-6-3-4-9-21(19)20/h3-9,14-16,28H,10-13,17H2,1-2H3/b25-16+
InChIKey
YXBASIHXTDDQPN-PCLIKHOPSA-N
Compound name
2,6-dimethoxy-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 200.5
[M+Na]+ 428.19445 205.7
[M-H]- 404.19795 207.3
[M+NH4]+ 423.23905 208.6
[M+K]+ 444.16839 199.8
[M+H-H2O]+ 388.20249 187.9
[M+HCOO]- 450.20343 216.8
[M+CH3COO]- 464.21908 208.2
[M+Na-2H]- 426.17990 202.7
[M]+ 405.20468 200.1
[M]- 405.20578 200.1
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.