CID 135465370

2-[2-(2,6-dichloroanilino)phenyl]-n-[(e)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]acetamide

Structural Information

Molecular Formula
C22H19Cl2N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl)O
InChI
InChI=1S/C22H19Cl2N3O3/c1-30-20-11-14(9-10-19(20)28)13-25-27-21(29)12-15-5-2-3-8-18(15)26-22-16(23)6-4-7-17(22)24/h2-11,13,26,28H,12H2,1H3,(H,27,29)/b25-13+
InChIKey
TWTZVZYYSDAYKV-DHRITJCHSA-N
Compound name
2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.08035 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.08763 204.1
[M+Na]+ 466.06957 211.6
[M-H]- 442.07307 213.2
[M+NH4]+ 461.11417 213.8
[M+K]+ 482.04351 204.5
[M+H-H2O]+ 426.07761 195.3
[M+HCOO]- 488.07855 220.4
[M+CH3COO]- 502.09420 234.6
[M+Na-2H]- 464.05502 205.6
[M]+ 443.07980 209.5
[M]- 443.08090 209.5
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.