CID 9575554

[(e)-[amino-(3,5-dichlorophenyl)methylene]amino] naphthalene-1-carboxylate

Structural Information

Molecular Formula
C18H12Cl2N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)O/N=C(\C3=CC(=CC(=C3)Cl)Cl)/N
InChI
InChI=1S/C18H12Cl2N2O2/c19-13-8-12(9-14(20)10-13)17(21)22-24-18(23)16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H2,21,22)
InChIKey
AVQSLFJYDKTWEI-UHFFFAOYSA-N
Compound name
[(E)-[amino-(3,5-dichlorophenyl)methylidene]amino] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.0276 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03488 179.6
[M+Na]+ 381.01682 188.5
[M-H]- 357.02032 187.4
[M+NH4]+ 376.06142 194.5
[M+K]+ 396.99076 182.0
[M+H-H2O]+ 341.02486 172.6
[M+HCOO]- 403.02580 194.5
[M+CH3COO]- 417.04145 217.6
[M+Na-2H]- 379.00227 183.2
[M]+ 358.02705 183.7
[M]- 358.02815 183.7
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.