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 197.5
[M+Na]+ 436.05902 205.3
[M-H]- 412.06252 207.7
[M+NH4]+ 431.10362 209.0
[M+K]+ 452.03296 198.1
[M+H-H2O]+ 396.06706 188.6
[M+HCOO]- 458.06800 215.4
[M+CH3COO]- 472.08365 230.5
[M+Na-2H]- 434.04447 200.5
[M]+ 413.06925 202.6
[M]- 413.07035 202.6
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.