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

5
Patents

293.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.112476 166.8
[M+Na]+ 316.094418 176.4
[M-H]- 292.097924 174.1
[M+NH4]+ 311.139023 183.7
[M+K]+ 332.068358 172.3
[M+H-H2O]+ 276.102460 158.8
[M+HCOO]- 338.103401 189.4
[M+CH3COO]- 352.119051 202.9
[M+Na-2H]- 314.079866 169.6
[M]+ 293.10465142 171.4
[M]- 293.10574858 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