CID 9588302

Brn 4566552

Structural Information

Molecular Formula
C21H17Cl2N3O
SMILES
CC1=CC(=CC=C1)NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C21H17Cl2N3O/c1-14-5-4-7-17(11-14)25-20-12-16(22)9-10-18(20)21(27)26-24-13-15-6-2-3-8-19(15)23/h2-13,25H,1H3,(H,26,27)/b24-13+
InChIKey
JENIXVQKEZPYCM-ZMOGYAJESA-N
Compound name
4-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3-methylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.07486 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.08214 195.5
[M+Na]+ 420.06408 211.7
[M+NH4]+ 415.10868 204.0
[M+K]+ 436.03802 200.7
[M-H]- 396.06758 204.1
[M+Na-2H]- 418.04953 206.6
[M]+ 397.07431 201.0
[M]- 397.07541 201.0
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.