CID 3062670

Methanone, 1h-indol-3-yl(2-methoxyphenyl)-

Structural Information

Molecular Formula
C16H13NO2
SMILES
COC1=CC=CC=C1C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H13NO2/c1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14/h2-10,17H,1H3
InChIKey
PTRREJCKNUCEBY-UHFFFAOYSA-N
Compound name
1H-indol-3-yl-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

251.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 155.9
[M+Na]+ 274.08386 171.1
[M+NH4]+ 269.12846 164.6
[M+K]+ 290.05780 165.2
[M-H]- 250.08736 159.8
[M+Na-2H]- 272.06931 164.7
[M]+ 251.09409 159.3
[M]- 251.09519 159.3
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