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 158.3
[M+Na]+ 319.00527 170.9
[M-H]- 295.00877 165.8
[M+NH4]+ 314.04987 179.7
[M+K]+ 334.97921 160.1
[M+H-H2O]+ 279.01331 157.4
[M+HCOO]- 341.01425 179.4
[M+CH3COO]- 355.02990 205.0
[M+Na-2H]- 316.99072 162.4
[M]+ 296.01550 179.6
[M]- 296.01660 179.6
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.