CID 781247

5102-18-1

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)O)C(=O)C
InChI
InChI=1S/C17H15NO2/c1-11-17(12(2)19)15-10-14(20)8-9-16(15)18(11)13-6-4-3-5-7-13/h3-10,20H,1-2H3
InChIKey
IXJWGFZUYLKRRY-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

3
Patents

265.1103 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 159.8
[M+Na]+ 288.09952 170.6
[M-H]- 264.10302 166.2
[M+NH4]+ 283.14412 177.7
[M+K]+ 304.07346 165.3
[M+H-H2O]+ 248.10756 152.6
[M+HCOO]- 310.10850 182.0
[M+CH3COO]- 324.12415 172.9
[M+Na-2H]- 286.08497 163.2
[M]+ 265.10975 162.7
[M]- 265.11085 162.7
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

patents stripe