CID 11551708

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

Structural Information

Molecular Formula
C15H13BrN2O2
SMILES
CCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)NC3=O)Br
InChI
InChI=1S/C15H13BrN2O2/c1-2-5-10-11(8-6-3-4-7-9(8)17-10)12-13(16)15(20)18-14(12)19/h3-4,6-7,17H,2,5H2,1H3,(H,18,19,20)
InChIKey
TTWWEUBUCRTYJN-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-propyl-1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.01605 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.02333 170.2
[M+Na]+ 355.00527 184.2
[M-H]- 331.00877 176.8
[M+NH4]+ 350.04987 189.2
[M+K]+ 370.97921 170.5
[M+H-H2O]+ 315.01331 170.0
[M+HCOO]- 377.01425 188.6
[M+CH3COO]- 391.02990 183.8
[M+Na-2H]- 352.99072 171.8
[M]+ 332.01550 189.4
[M]- 332.01660 189.4
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.