CID 5274453

(e)-1-(4-hydroxy-1-methyl-indol-5-yl)-3-phenyl-prop-2-en-1-one

Structural Information

Molecular Formula
C18H15NO2
SMILES
CN1C=CC2=C1C=CC(=C2O)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2/c1-19-12-11-14-16(19)9-8-15(18(14)21)17(20)10-7-13-5-3-2-4-6-13/h2-12,21H,1H3/b10-7+
InChIKey
CWPICGXVCUUCIA-JXMROGBWSA-N
Compound name
(E)-1-(4-hydroxy-1-methylindol-5-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1103 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 164.0
[M+Na]+ 300.09952 173.7
[M-H]- 276.10302 169.8
[M+NH4]+ 295.14412 181.0
[M+K]+ 316.07346 167.6
[M+H-H2O]+ 260.10756 156.4
[M+HCOO]- 322.10850 186.0
[M+CH3COO]- 336.12415 176.3
[M+Na-2H]- 298.08497 167.4
[M]+ 277.10975 166.0
[M]- 277.11085 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.