CID 9575572

[(z)-[amino-(2,4-dichlorophenyl)methylene]amino] 2,6-dimethylbenzoate

Structural Information

Molecular Formula
C16H14Cl2N2O2
SMILES
CC1=C(C(=CC=C1)C)C(=O)O/N=C(/C2=C(C=C(C=C2)Cl)Cl)\N
InChI
InChI=1S/C16H14Cl2N2O2/c1-9-4-3-5-10(2)14(9)16(21)22-20-15(19)12-7-6-11(17)8-13(12)18/h3-8H,1-2H3,(H2,19,20)
InChIKey
DIGFFYRCCJWEDT-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 2,6-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.04324 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05052 175.7
[M+Na]+ 359.03246 185.1
[M-H]- 335.03596 183.2
[M+NH4]+ 354.07706 191.0
[M+K]+ 375.00640 179.2
[M+H-H2O]+ 319.04050 169.5
[M+HCOO]- 381.04144 191.6
[M+CH3COO]- 395.05709 215.2
[M+Na-2H]- 357.01791 176.2
[M]+ 336.04269 180.4
[M]- 336.04379 180.4
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.