CID 11610468

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

Structural Information

Molecular Formula
C18H19BrN2O2
SMILES
CCCCCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)Br
InChI
InChI=1S/C18H19BrN2O2/c1-3-4-5-10-13-14(11-8-6-7-9-12(11)20-13)15-16(19)18(23)21(2)17(15)22/h6-9,20H,3-5,10H2,1-2H3
InChIKey
NHKNQOXPAXZSQI-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-4-(2-pentyl-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

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07028 182.9
[M+Na]+ 397.05222 196.9
[M-H]- 373.05572 190.6
[M+NH4]+ 392.09682 201.2
[M+K]+ 413.02616 183.3
[M+H-H2O]+ 357.06026 182.2
[M+HCOO]- 419.06120 201.7
[M+CH3COO]- 433.07685 212.3
[M+Na-2H]- 395.03767 182.8
[M]+ 374.06245 205.0
[M]- 374.06355 205.0
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.