CID 57503

5-bromo-n,o-dipropionyldioxindole

Structural Information

Molecular Formula
C14H14BrNO4
SMILES
CCC(=O)N1C2=C(C=C(C=C2)Br)C(C1=O)OC(=O)CC
InChI
InChI=1S/C14H14BrNO4/c1-3-11(17)16-10-6-5-8(15)7-9(10)13(14(16)19)20-12(18)4-2/h5-7,13H,3-4H2,1-2H3
InChIKey
OHFJDVPKSCFSCV-UHFFFAOYSA-N
Compound name
(5-bromo-2-oxo-1-propanoyl-3H-indol-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.01062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.01790 168.4
[M+Na]+ 361.99984 180.4
[M-H]- 338.00334 174.6
[M+NH4]+ 357.04444 187.6
[M+K]+ 377.97378 169.7
[M+H-H2O]+ 322.00788 168.1
[M+HCOO]- 384.00882 186.1
[M+CH3COO]- 398.02447 206.4
[M+Na-2H]- 359.98529 169.8
[M]+ 339.01007 190.6
[M]- 339.01117 190.6
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.