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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02333 160.7
[M+Na]+ 319.00527 162.7
[M+NH4]+ 314.04987 164.6
[M+K]+ 334.97921 164.3
[M-H]- 295.00877 160.7
[M+Na-2H]- 316.99072 161.3
[M]+ 296.01550 159.6
[M]- 296.01660 159.6
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.