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]+ 323.03488 171.2
[M+Na]+ 345.01682 180.1
[M-H]- 321.02032 178.4
[M+NH4]+ 340.06142 186.7
[M+K]+ 360.99076 174.3
[M+H-H2O]+ 305.02486 164.9
[M+HCOO]- 367.02580 187.4
[M+CH3COO]- 381.04145 211.1
[M+Na-2H]- 343.00227 172.9
[M]+ 322.02705 175.1
[M]- 322.02815 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.