CID 11493686

3-bromo-4-(2-ethyl-1h-indol-3-yl)-1-methyl-pyrrole-2,5-dione

Structural Information

Molecular Formula
C15H13BrN2O2
SMILES
CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)Br
InChI
InChI=1S/C15H13BrN2O2/c1-3-9-11(8-6-4-5-7-10(8)17-9)12-13(16)15(20)18(2)14(12)19/h4-7,17H,3H2,1-2H3
InChIKey
XURCGESSRRKTMW-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-ethyl-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.01605 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.02333 169.2
[M+Na]+ 355.00527 184.5
[M-H]- 331.00877 177.5
[M+NH4]+ 350.04987 189.1
[M+K]+ 370.97921 171.6
[M+H-H2O]+ 315.01331 169.1
[M+HCOO]- 377.01425 189.0
[M+CH3COO]- 391.02990 183.8
[M+Na-2H]- 352.99072 170.7
[M]+ 332.01550 190.4
[M]- 332.01660 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.