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

3
Patents

279.12592 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 165.0
[M+Na]+ 302.11514 173.1
[M-H]- 278.11864 170.5
[M+NH4]+ 297.15974 181.5
[M+K]+ 318.08908 168.0
[M+H-H2O]+ 262.12318 157.2
[M+HCOO]- 324.12412 185.8
[M+CH3COO]- 338.13977 176.7
[M+Na-2H]- 300.10059 168.0
[M]+ 279.12537 166.7
[M]- 279.12647 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