CID 3062673

3-(p-methoxybenzoyl)-n-acetylindole

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H15NO3/c1-12(20)19-11-16(15-5-3-4-6-17(15)19)18(21)13-7-9-14(22-2)10-8-13/h3-11H,1-2H3
InChIKey
HBPDJEKEBQJYGS-UHFFFAOYSA-N
Compound name
1-[3-(4-methoxybenzoyl)indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 166.8
[M+Na]+ 316.09442 176.4
[M-H]- 292.09792 174.1
[M+NH4]+ 311.13902 183.7
[M+K]+ 332.06836 172.3
[M+H-H2O]+ 276.10246 158.8
[M+HCOO]- 338.10340 189.4
[M+CH3COO]- 352.11905 202.9
[M+Na-2H]- 314.07987 169.6
[M]+ 293.10465 171.4
[M]- 293.10575 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe