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 192.2
[M+Na]+ 404.12572 198.7
[M-H]- 380.12922 199.3
[M+NH4]+ 399.17032 203.0
[M+K]+ 420.09966 191.3
[M+H-H2O]+ 364.13376 183.1
[M+HCOO]- 426.13470 209.6
[M+CH3COO]- 440.15035 201.1
[M+Na-2H]- 402.11117 191.6
[M]+ 381.13595 191.5
[M]- 381.13705 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.