CID 537520

5165-56-0

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)O)C(=O)C)C
InChI
InChI=1S/C18H17NO2/c1-11-4-6-14(7-5-11)19-12(2)18(13(3)20)16-10-15(21)8-9-17(16)19/h4-10,21H,1-3H3
InChIKey
MGSCBXRDTPZALS-UHFFFAOYSA-N
Compound name
1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 164.2
[M+Na]+ 302.11514 175.4
[M-H]- 278.11864 170.8
[M+NH4]+ 297.15974 181.9
[M+K]+ 318.08908 170.0
[M+H-H2O]+ 262.12318 157.1
[M+HCOO]- 324.12412 186.0
[M+CH3COO]- 338.13977 201.4
[M+Na-2H]- 300.10059 166.3
[M]+ 279.12537 167.9
[M]- 279.12647 167.9
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.