CID 9575562

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

Structural Information

Molecular Formula
C15H12Cl2N2O2
SMILES
CC1=CC(=CC=C1)C(=O)O/N=C(/C2=C(C=C(C=C2)Cl)Cl)\N
InChI
InChI=1S/C15H12Cl2N2O2/c1-9-3-2-4-10(7-9)15(20)21-19-14(18)12-6-5-11(16)8-13(12)17/h2-8H,1H3,(H2,18,19)
InChIKey
YFHXLBZYNIBIGM-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.0276 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.034876 171.2
[M+Na]+ 345.016818 180.1
[M-H]- 321.020324 178.4
[M+NH4]+ 340.061423 186.7
[M+K]+ 360.990758 174.3
[M+H-H2O]+ 305.024860 164.9
[M+HCOO]- 367.025801 187.4
[M+CH3COO]- 381.041451 211.1
[M+Na-2H]- 343.002266 172.9
[M]+ 322.02705142 175.1
[M]- 322.02814858 175.1
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.