CID 23278

5-dimethylamino-3-benzoylindole

Structural Information

Molecular Formula
C17H16N2O
SMILES
CN(C)C1=CC2=C(C=C1)NC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-19(2)13-8-9-16-14(10-13)15(11-18-16)17(20)12-6-4-3-5-7-12/h3-11,18H,1-2H3
InChIKey
JQLNFQWLOGYVTG-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-1H-indol-3-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 160.7
[M+Na]+ 287.11547 175.0
[M+NH4]+ 282.16007 169.5
[M+K]+ 303.08941 169.2
[M-H]- 263.11897 165.5
[M+Na-2H]- 285.10092 169.6
[M]+ 264.12570 164.1
[M]- 264.12680 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.