CID 211017

3-(p-methoxybenzoyl)indole

Structural Information

Molecular Formula
C16H13NO2
SMILES
COC1=CC=C(C=C1)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15/h2-10,17H,1H3
InChIKey
KLNHIIYKFBCQQB-UHFFFAOYSA-N
Compound name
1H-indol-3-yl-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

60
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 155.4
[M+Na]+ 274.08386 164.8
[M-H]- 250.08736 161.2
[M+NH4]+ 269.12846 173.3
[M+K]+ 290.05780 159.7
[M+H-H2O]+ 234.09190 147.9
[M+HCOO]- 296.09284 178.0
[M+CH3COO]- 310.10849 168.2
[M+Na-2H]- 272.06931 160.7
[M]+ 251.09409 157.1
[M]- 251.09519 157.1
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