CID 6446539

1,3-butanedione, 1-(2-phenyl-1h-indol-3-yl)-2-((2-hydroxyphenyl)methylene)-

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]+ 382.143776 192.2
[M+Na]+ 404.125718 198.7
[M-H]- 380.129224 199.3
[M+NH4]+ 399.170323 203.0
[M+K]+ 420.099658 191.3
[M+H-H2O]+ 364.133760 183.1
[M+HCOO]- 426.134701 209.6
[M+CH3COO]- 440.150351 201.1
[M+Na-2H]- 402.111166 191.6
[M]+ 381.13595142 191.5
[M]- 381.13704858 191.5
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.