CID 9588307

Brn 4581731

Structural Information

Molecular Formula
C21H17Cl2N3O2
SMILES
COC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C21H17Cl2N3O2/c1-28-20-9-5-4-8-18(20)25-19-12-15(22)10-11-16(19)21(27)26-24-13-14-6-2-3-7-17(14)23/h2-13,25H,1H3,(H,26,27)/b24-13+
InChIKey
XJPDQCRQCRYCOJ-ZMOGYAJESA-N
Compound name
4-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methoxyanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0698 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.07708 198.0
[M+Na]+ 436.05902 213.7
[M+NH4]+ 431.10362 205.9
[M+K]+ 452.03296 203.3
[M-H]- 412.06252 206.1
[M+Na-2H]- 434.04447 208.7
[M]+ 413.06925 203.2
[M]- 413.07035 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.