CID 28492566

5-bromo-1-[2-(dimethylamino)ethyl]-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula

C₁₂H₁₃BrN₂O₂

SMILES

CN(C)CCN1C2=C(C=C(C=C2)Br)C(=O)C1=O

InChI

InChI=1S/C12H13BrN2O2/c1-14(2)5-6-15-10-4-3-8(13)7-9(10)11(16)12(15)17/h3-4,7H,5-6H2,1-2H3

InChIKey

FHYUCWKGNMXXNA-UHFFFAOYSA-N

Compound name

5-bromo-1-[2-(dimethylamino)ethyl]indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.01605 Da
Monoisotopic Mass: 1.6
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]+	297.023326	158.3
[M+Na]+	319.005268	170.9
[M-H]-	295.008774	165.8
[M+NH4]+	314.049873	179.7
[M+K]+	334.979208	160.1
[M+H-H2O]+	279.013310	157.4
[M+HCOO]-	341.014251	179.4
[M+CH3COO]-	355.029901	205.0
[M+Na-2H]-	316.990716	162.4
[M]+	296.01550142	179.6
[M]-	296.01659858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.