CID 9555893

Nsc647263

Structural Information

Molecular Formula
C23H15Cl2N3O2
SMILES
C1=CC=C(C(=C1)C2=C(OC(=C2)/C=N/NC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl)Cl
InChI
InChI=1S/C23H15Cl2N3O2/c24-20-7-3-1-5-17(20)19-13-16(30-22(19)18-6-2-4-8-21(18)25)14-27-28-23(29)15-9-11-26-12-10-15/h1-14H,(H,28,29)/b27-14+
InChIKey
XDKREKTVUNWKHY-MZJWZYIUSA-N
Compound name
N-[(E)-[4,5-bis(2-chlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.05414 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06142 206.1
[M+Na]+ 458.04336 215.0
[M-H]- 434.04686 218.8
[M+NH4]+ 453.08796 215.5
[M+K]+ 474.01730 207.8
[M+H-H2O]+ 418.05140 195.5
[M+HCOO]- 480.05234 221.6
[M+CH3COO]- 494.06799 215.8
[M+Na-2H]- 456.02881 207.4
[M]+ 435.05359 211.6
[M]- 435.05469 211.6
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.