CID 9569435

75393-01-0

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₄

SMILES

CCN(CC)CCO/N=C/1\CC(OC2=CC=CC=C12)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O4/c1-5-25(6-2)13-14-28-24-19-16-22(29-20-10-8-7-9-18(19)20)17-11-12-21(26-3)23(15-17)27-4/h7-12,15,22H,5-6,13-14,16H2,1-4H3/b24-19+

InChIKey

OZKALSSMVORYTB-LYBHJNIJSA-N

Compound name

2-[(E)-[2-(3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxy-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 398.22055 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.227826	199.2
[M+Na]+	421.209768	203.5
[M-H]-	397.213274	208.9
[M+NH4]+	416.254373	210.5
[M+K]+	437.183708	202.6
[M+H-H2O]+	381.217810	188.4
[M+HCOO]-	443.218751	221.2
[M+CH3COO]-	457.234401	234.7
[M+Na-2H]-	419.195216	202.0
[M]+	398.22000142	205.7
[M]-	398.22109858	205.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.