CID 91711131

1566571-78-5

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=CC(=C(C=C1)OC)CCN=CC2=CC=CC=C2OC
InChI
InChI=1S/C18H21NO3/c1-20-16-8-9-18(22-3)14(12-16)10-11-19-13-15-6-4-5-7-17(15)21-2/h4-9,12-13H,10-11H2,1-3H3
InChIKey
QPVMUPLRZMIWJW-UHFFFAOYSA-N
Compound name
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 170.3
[M+Na]+ 322.141348 177.7
[M-H]- 298.144854 178.4
[M+NH4]+ 317.185953 186.1
[M+K]+ 338.115288 174.9
[M+H-H2O]+ 282.149390 161.5
[M+HCOO]- 344.150331 196.7
[M+CH3COO]- 358.165981 209.6
[M+Na-2H]- 320.126796 174.9
[M]+ 299.15158142 176.6
[M]- 299.15267858 176.6
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.