CID 6446539

Brn 1600707

Structural Information

Molecular Formula
C25H19NO3
SMILES
CC(=O)/C(=C\C1=CC=CC=C1O)/C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C25H19NO3/c1-16(27)20(15-18-11-5-8-14-22(18)28)25(29)23-19-12-6-7-13-21(19)26-24(23)17-9-3-2-4-10-17/h2-15,26,28H,1H3/b20-15+
InChIKey
QSVJEDRNYGBKPZ-HMMYKYKNSA-N
Compound name
(2E)-2-[(2-hydroxyphenyl)methylidene]-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1365 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14378 192.3
[M+Na]+ 404.12572 207.1
[M+NH4]+ 399.17032 198.9
[M+K]+ 420.09966 201.2
[M-H]- 380.12922 197.0
[M+Na-2H]- 402.11117 200.6
[M]+ 381.13595 195.7
[M]- 381.13705 195.7
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.