CID 11576849

6-[3-(4-bromo-2,5-dioxo-pyrrol-3-yl)-1h-indol-2-yl]-n-(o-tolyl)hexanamide

Structural Information

Molecular Formula
C25H24BrN3O3
SMILES
CC1=CC=CC=C1NC(=O)CCCCCC2=C(C3=CC=CC=C3N2)C4=C(C(=O)NC4=O)Br
InChI
InChI=1S/C25H24BrN3O3/c1-15-9-5-7-11-17(15)28-20(30)14-4-2-3-13-19-21(16-10-6-8-12-18(16)27-19)22-23(26)25(32)29-24(22)31/h5-12,27H,2-4,13-14H2,1H3,(H,28,30)(H,29,31,32)
InChIKey
ZXZDOTMNUDPILE-UHFFFAOYSA-N
Compound name
6-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

493.1001 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.10738 213.3
[M+Na]+ 516.08932 222.8
[M-H]- 492.09282 222.0
[M+NH4]+ 511.13392 224.8
[M+K]+ 532.06326 208.1
[M+H-H2O]+ 476.09736 210.6
[M+HCOO]- 538.09830 229.6
[M+CH3COO]- 552.11395 232.1
[M+Na-2H]- 514.07477 210.8
[M]+ 493.09955 232.6
[M]- 493.10065 232.6
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.