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 160.4
[M+Na]+ 287.11547 168.7
[M-H]- 263.11897 167.4
[M+NH4]+ 282.16007 178.1
[M+K]+ 303.08941 164.1
[M+H-H2O]+ 247.12351 152.4
[M+HCOO]- 309.12445 184.0
[M+CH3COO]- 323.14010 172.9
[M+Na-2H]- 285.10092 165.0
[M]+ 264.12570 161.7
[M]- 264.12680 161.7
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

No patent data available for this compound.