CID 5932522

Nsc638644

Structural Information

Molecular Formula
C22H15Cl4NO2
SMILES
C=CC(=O)N1C/C(=C\C2=CC(=C(C=C2)Cl)Cl)/C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/C1
InChI
InChI=1S/C22H15Cl4NO2/c1-2-21(28)27-11-15(7-13-3-5-17(23)19(25)9-13)22(29)16(12-27)8-14-4-6-18(24)20(26)10-14/h2-10H,1,11-12H2/b15-7-,16-8+
InChIKey
FBZOBWNZGBPYHT-BSHIDLADSA-N
Compound name
(3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.9857 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.99298 202.6
[M+Na]+ 487.97492 211.8
[M-H]- 463.97842 206.8
[M+NH4]+ 483.01952 211.3
[M+K]+ 503.94886 202.4
[M+H-H2O]+ 447.98296 195.1
[M+HCOO]- 509.98390 199.8
[M+CH3COO]- 523.99955 229.3
[M+Na-2H]- 485.96037 196.4
[M]+ 464.98515 202.9
[M]- 464.98625 202.9
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.