CID 15953978

Chembl410719

Structural Information

Molecular Formula
C23H22Cl2N4O
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C23H22Cl2N4O/c1-29(2)18-12-10-16(11-13-18)15-26-28-22(30)14-17-6-3-4-9-21(17)27-23-19(24)7-5-8-20(23)25/h3-13,15,27H,14H2,1-2H3,(H,28,30)/b26-15+
InChIKey
GEFZFYBIYIDLMN-CVKSISIWSA-N
Compound name
2-[2-(2,6-dichloroanilino)phenyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

440.11707 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12435 208.7
[M+Na]+ 463.10629 214.9
[M-H]- 439.10979 219.6
[M+NH4]+ 458.15089 219.3
[M+K]+ 479.08023 208.1
[M+H-H2O]+ 423.11433 199.0
[M+HCOO]- 485.11527 227.1
[M+CH3COO]- 499.13092 242.3
[M+Na-2H]- 461.09174 210.1
[M]+ 440.11652 213.7
[M]- 440.11762 213.7
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.