CID 9575574

[(z)-[amino-(2,4-dichlorophenyl)methylene]amino] 3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C16H14Cl2N2O4
SMILES
COC1=CC(=CC(=C1)C(=O)O/N=C(/C2=C(C=C(C=C2)Cl)Cl)\N)OC
InChI
InChI=1S/C16H14Cl2N2O4/c1-22-11-5-9(6-12(8-11)23-2)16(21)24-20-15(19)13-4-3-10(17)7-14(13)18/h3-8H,1-2H3,(H2,19,20)
InChIKey
WRNMFJOQUCKFRV-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.03305 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04033 180.1
[M+Na]+ 391.02227 189.1
[M-H]- 367.02577 187.7
[M+NH4]+ 386.06687 194.0
[M+K]+ 406.99621 184.8
[M+H-H2O]+ 351.03031 173.5
[M+HCOO]- 413.03125 196.4
[M+CH3COO]- 427.04690 219.5
[M+Na-2H]- 389.00772 181.0
[M]+ 368.03250 187.6
[M]- 368.03360 187.6
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.