CID 11688308

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

Structural Information

Molecular Formula
C14H11BrN2O2
SMILES
CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)NC3=O)Br
InChI
InChI=1S/C14H11BrN2O2/c1-2-8-10(7-5-3-4-6-9(7)16-8)11-12(15)14(19)17-13(11)18/h3-6,16H,2H2,1H3,(H,17,18,19)
InChIKey
ISCXTZMUQIRFCT-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-ethyl-1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.0004 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00768 165.7
[M+Na]+ 340.98962 180.1
[M-H]- 316.99312 172.5
[M+NH4]+ 336.03422 185.2
[M+K]+ 356.96356 166.6
[M+H-H2O]+ 300.99766 165.7
[M+HCOO]- 362.99860 184.4
[M+CH3COO]- 377.01425 179.8
[M+Na-2H]- 338.97507 167.8
[M]+ 317.99985 184.6
[M]- 318.00095 184.6
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.