CID 6446543

Brn 0441394

Structural Information

Molecular Formula
C24H19ClN2O
SMILES
C/C(=C/C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClN2O/c1-16(26-19-13-11-18(25)12-14-19)15-22(28)23-20-9-5-6-10-21(20)27-24(23)17-7-3-2-4-8-17/h2-15,26-27H,1H3/b16-15-
InChIKey
ODVICWBEUAELAX-NXVVXOECSA-N
Compound name
(Z)-3-(4-chloroanilino)-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1186 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12588 194.2
[M+Na]+ 409.10782 210.7
[M+NH4]+ 404.15242 202.6
[M+K]+ 425.08176 202.2
[M-H]- 385.11132 201.1
[M+Na-2H]- 407.09327 204.2
[M]+ 386.11805 199.0
[M]- 386.11915 199.0
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.