CID 295596

N-(4-chlorobenzylidene)-3,4-dimethoxyphenethylamine

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
COC1=C(C=C(C=C1)CCN=CC2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C17H18ClNO2/c1-20-16-8-5-13(11-17(16)21-2)9-10-19-12-14-3-6-15(18)7-4-14/h3-8,11-12H,9-10H2,1-2H3
InChIKey
UABUEEHVUFGZBY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 169.8
[M+Na]+ 326.09182 178.5
[M-H]- 302.09532 177.8
[M+NH4]+ 321.13642 186.4
[M+K]+ 342.06576 173.5
[M+H-H2O]+ 286.09986 162.1
[M+HCOO]- 348.10080 191.7
[M+CH3COO]- 362.11645 208.1
[M+Na-2H]- 324.07727 174.3
[M]+ 303.10205 176.5
[M]- 303.10315 176.5
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.