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 193.4
[M+Na]+ 409.10782 201.3
[M-H]- 385.11132 201.5
[M+NH4]+ 404.15242 205.8
[M+K]+ 425.08176 191.8
[M+H-H2O]+ 369.11586 184.3
[M+HCOO]- 431.11680 209.7
[M+CH3COO]- 445.13245 202.9
[M+Na-2H]- 407.09327 194.8
[M]+ 386.11805 194.7
[M]- 386.11915 194.7
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.