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 166.6
[M+Na]+ 303.14678 174.0
[M-H]- 279.15028 174.2
[M+NH4]+ 298.19138 184.5
[M+K]+ 319.12072 169.9
[M+H-H2O]+ 263.15482 158.0
[M+HCOO]- 325.15576 189.4
[M+CH3COO]- 339.17141 207.3
[M+Na-2H]- 301.13223 169.5
[M]+ 280.15701 168.1
[M]- 280.15811 168.1
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.