CID 47002905

5-bromo-1-(3-methoxypropyl)-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C12H12BrNO3
SMILES
COCCCN1C2=C(C=C(C=C2)Br)C(=O)C1=O
InChI
InChI=1S/C12H12BrNO3/c1-17-6-2-5-14-10-4-3-8(13)7-9(10)11(15)12(14)16/h3-4,7H,2,5-6H2,1H3
InChIKey
KDGLHUWDDSPVCS-UHFFFAOYSA-N
Compound name
5-bromo-1-(3-methoxypropyl)indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

297.00006 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00734 161.8
[M+Na]+ 319.98928 164.3
[M+NH4]+ 315.03388 165.4
[M+K]+ 335.96322 165.5
[M-H]- 295.99278 160.9
[M+Na-2H]- 317.97473 161.9
[M]+ 296.99951 160.5
[M]- 297.00061 160.5
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

patents stripe