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: 1
Patents: 295.16846 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.175736	169.7
[M+Na]+	318.157678	177.3
[M-H]-	294.161184	177.1
[M+NH4]+	313.202283	188.4
[M+K]+	334.131618	173.0
[M+H-H2O]+	278.165720	161.3
[M+HCOO]-	340.166661	192.9
[M+CH3COO]-	354.182311	211.2
[M+Na-2H]-	316.143126	173.3
[M]+	295.16791142	169.9
[M]-	295.16900858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe