CID 3103463

Dtxsid801041122

Structural Information

Molecular Formula
C23H19Cl3N4O
SMILES
C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C23H19Cl3N4O/c24-23(25,26)22(28-21(31)16-11-17-7-3-1-4-8-17)27-18-12-14-20(15-13-18)30-29-19-9-5-2-6-10-19/h1-16,22,27H,(H,28,31)
InChIKey
YILBAQDXYGUBKJ-UHFFFAOYSA-N
Compound name
3-phenyl-N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.06244 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06972 212.7
[M+Na]+ 495.05166 217.2
[M-H]- 471.05516 221.5
[M+NH4]+ 490.09626 221.5
[M+K]+ 511.02560 209.5
[M+H-H2O]+ 455.05970 203.6
[M+HCOO]- 517.06064 224.3
[M+CH3COO]- 531.07629 240.7
[M+Na-2H]- 493.03711 216.0
[M]+ 472.06189 216.0
[M]- 472.06299 216.0
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.