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]+ 304.109876 169.8
[M+Na]+ 326.091818 178.5
[M-H]- 302.095324 177.8
[M+NH4]+ 321.136423 186.4
[M+K]+ 342.065758 173.5
[M+H-H2O]+ 286.099860 162.1
[M+HCOO]- 348.100801 191.7
[M+CH3COO]- 362.116451 208.1
[M+Na-2H]- 324.077266 174.3
[M]+ 303.10205142 176.5
[M]- 303.10314858 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.