CID 39286

42773-86-4

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN(C)CCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-19(2)12-13-20-16-11-7-6-10-15(16)17(18(20)21)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3
InChIKey
ZUWVVHVHUQGTGL-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-phenyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 166.9
[M+Na]+ 303.14678 180.5
[M+NH4]+ 298.19138 175.9
[M+K]+ 319.12072 173.9
[M-H]- 279.15028 172.1
[M+Na-2H]- 301.13223 174.5
[M]+ 280.15701 170.3
[M]- 280.15811 170.3
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.