CID 28933

18176-31-3

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN(C)N1C2=CC=CC=C2C(C1=O)(CCN)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O/c1-20(2)21-16-11-7-6-10-15(16)18(12-13-19,17(21)22)14-8-4-3-5-9-14/h3-11H,12-13,19H2,1-2H3
InChIKey
OIKOKZYRYAPSJP-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 170.2
[M+Na]+ 318.15768 182.3
[M+NH4]+ 313.20228 179.9
[M+K]+ 334.13162 174.7
[M-H]- 294.16118 175.4
[M+Na-2H]- 316.14313 178.6
[M]+ 295.16791 173.4
[M]- 295.16901 173.4
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.