CID 289436

N-(1,3-benzodioxol-5-ylmethylene)-5-chloro-2,4-dimethoxyaniline

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 172.3
[M+Na]+ 342.05035 182.7
[M-H]- 318.05385 183.1
[M+NH4]+ 337.09495 188.6
[M+K]+ 358.02429 180.7
[M+H-H2O]+ 302.05839 165.8
[M+HCOO]- 364.05933 192.1
[M+CH3COO]- 378.07498 208.7
[M+Na-2H]- 340.03580 177.6
[M]+ 319.06058 181.3
[M]- 319.06168 181.3
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.