CID 9588303

Brn 4565016

Structural Information

Molecular Formula
C21H17Cl2N3O
SMILES
CC1=CC(=CC=C1)NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H17Cl2N3O/c1-14-3-2-4-18(11-14)25-20-12-17(23)9-10-19(20)21(27)26-24-13-15-5-7-16(22)8-6-15/h2-13,25H,1H3,(H,26,27)/b24-13+
InChIKey
MVLYKZMPURGVGL-ZMOGYAJESA-N
Compound name
4-chloro-N-[(E)-(4-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 195.2
[M+Na]+ 420.06408 203.2
[M-H]- 396.06758 205.3
[M+NH4]+ 415.10868 207.4
[M+K]+ 436.03802 195.2
[M+H-H2O]+ 380.07212 186.4
[M+HCOO]- 442.07306 212.8
[M+CH3COO]- 456.08871 228.4
[M+Na-2H]- 418.04953 198.0
[M]+ 397.07431 198.9
[M]- 397.07541 198.9
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.