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]+ 406.212506 200.5
[M+Na]+ 428.194448 205.7
[M-H]- 404.197954 207.3
[M+NH4]+ 423.239053 208.6
[M+K]+ 444.168388 199.8
[M+H-H2O]+ 388.202490 187.9
[M+HCOO]- 450.203431 216.8
[M+CH3COO]- 464.219081 208.2
[M+Na-2H]- 426.179896 202.7
[M]+ 405.20468142 200.1
[M]- 405.20577858 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.