CID 11675470

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

Structural Information

Molecular Formula
C19H21BrN2O2
SMILES
CCCCCCC1=C(C2=CC=CC=C2N1C)C3=C(C(=O)NC3=O)Br
InChI
InChI=1S/C19H21BrN2O2/c1-3-4-5-6-11-14-15(16-17(20)19(24)21-18(16)23)12-9-7-8-10-13(12)22(14)2/h7-10H,3-6,11H2,1-2H3,(H,21,23,24)
InChIKey
SPZLKWMMNCQBBP-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-hexyl-1-methylindol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.07864 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08592 187.5
[M+Na]+ 411.06786 201.0
[M-H]- 387.07136 194.9
[M+NH4]+ 406.11246 205.2
[M+K]+ 427.04180 187.2
[M+H-H2O]+ 371.07590 186.5
[M+HCOO]- 433.07684 205.8
[M+CH3COO]- 447.09249 215.1
[M+Na-2H]- 409.05331 186.8
[M]+ 388.07809 209.8
[M]- 388.07919 209.8
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.