CID 3062677

3-(p-isopropoxybenzoyl)indole

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H17NO2/c1-12(2)21-14-9-7-13(8-10-14)18(20)16-11-19-17-6-4-3-5-15(16)17/h3-12,19H,1-2H3
InChIKey
YXZURSJIHKUUNX-UHFFFAOYSA-N
Compound name
1H-indol-3-yl-(4-propan-2-yloxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

279.12592 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 165.0
[M+Na]+ 302.115138 173.1
[M-H]- 278.118644 170.5
[M+NH4]+ 297.159743 181.5
[M+K]+ 318.089078 168.0
[M+H-H2O]+ 262.123180 157.2
[M+HCOO]- 324.124121 185.8
[M+CH3COO]- 338.139771 176.7
[M+Na-2H]- 300.100586 168.0
[M]+ 279.12537142 166.7
[M]- 279.12646858 166.7
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