CID 3062676

3-(p-methoxybenzoyl)-n-methylindole

Structural Information

Molecular Formula
C17H15NO2
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H15NO2/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(20-2)10-8-12/h3-11H,1-2H3
InChIKey
KTTKHPWYMHHUNK-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(1-methylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.1103 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 159.8
[M+Na]+ 288.09952 170.1
[M-H]- 264.10302 167.1
[M+NH4]+ 283.14412 178.1
[M+K]+ 304.07346 165.6
[M+H-H2O]+ 248.10756 152.0
[M+HCOO]- 310.10850 183.5
[M+CH3COO]- 324.12415 173.2
[M+Na-2H]- 286.08497 164.2
[M]+ 265.10975 164.1
[M]- 265.11085 164.1
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