CID 11667922

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

Structural Information

Molecular Formula
C18H19BrN2O2
SMILES
CCCCCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)NC3=O)Br
InChI
InChI=1S/C18H19BrN2O2/c1-2-3-4-5-10-13-14(11-8-6-7-9-12(11)20-13)15-16(19)18(23)21-17(15)22/h6-9,20H,2-5,10H2,1H3,(H,21,22,23)
InChIKey
GKAGWVAGECALJZ-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-hexyl-1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.063 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07028 183.7
[M+Na]+ 397.05222 196.4
[M-H]- 373.05572 189.8
[M+NH4]+ 392.09682 201.0
[M+K]+ 413.02616 182.0
[M+H-H2O]+ 357.06026 182.9
[M+HCOO]- 419.06120 201.0
[M+CH3COO]- 433.07685 209.0
[M+Na-2H]- 395.03767 183.7
[M]+ 374.06245 203.7
[M]- 374.06355 203.7
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.