CID 289436

40804-90-8

Structural Information

Molecular Formula
C16H14ClNO4
SMILES
COC1=CC(=C(C=C1N=CC2=CC3=C(C=C2)OCO3)Cl)OC
InChI
InChI=1S/C16H14ClNO4/c1-19-14-7-15(20-2)12(6-11(14)17)18-8-10-3-4-13-16(5-10)22-9-21-13/h3-8H,9H2,1-2H3
InChIKey
WERHNGROOIVTDA-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-N-(5-chloro-2,4-dimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06841 169.5
[M+Na]+ 342.05035 184.6
[M+NH4]+ 337.09495 178.0
[M+K]+ 358.02429 178.9
[M-H]- 318.05385 177.0
[M+Na-2H]- 340.03580 175.8
[M]+ 319.06058 174.2
[M]- 319.06168 174.2
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.