CID 135465371

Chembl260803

Structural Information

Molecular Formula
C21H17Cl2N3O2
SMILES
C1=CC=C(C(=C1)CC(=O)N/N=C/C2=CC=CC=C2O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C21H17Cl2N3O2/c22-16-8-5-9-17(23)21(16)25-18-10-3-1-6-14(18)12-20(28)26-24-13-15-7-2-4-11-19(15)27/h1-11,13,25,27H,12H2,(H,26,28)/b24-13+
InChIKey
QJXZDPBEHDWLQE-ZMOGYAJESA-N
Compound name
2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

413.0698 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.07708 196.8
[M+Na]+ 436.05902 204.1
[M-H]- 412.06252 205.6
[M+NH4]+ 431.10362 207.6
[M+K]+ 452.03296 196.2
[M+H-H2O]+ 396.06706 188.3
[M+HCOO]- 458.06800 213.2
[M+CH3COO]- 472.08365 228.3
[M+Na-2H]- 434.04447 199.4
[M]+ 413.06925 200.1
[M]- 413.07035 200.1
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.