CID 11533095

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

Structural Information

Molecular Formula
C24H22BrN3O3
SMILES
CC1=CC=CC=C1NC(=O)CCCCC2=C(C3=CC=CC=C3N2)C4=C(C(=O)NC4=O)Br
InChI
InChI=1S/C24H22BrN3O3/c1-14-8-2-4-10-16(14)27-19(29)13-7-6-12-18-20(15-9-3-5-11-17(15)26-18)21-22(25)24(31)28-23(21)30/h2-5,8-11,26H,6-7,12-13H2,1H3,(H,27,29)(H,28,30,31)
InChIKey
ZHJNZBWYFVKBBE-UHFFFAOYSA-N
Compound name
5-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.08444 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.09172 209.0
[M+Na]+ 502.07366 219.0
[M-H]- 478.07716 218.0
[M+NH4]+ 497.11826 221.1
[M+K]+ 518.04760 204.5
[M+H-H2O]+ 462.08170 206.5
[M+HCOO]- 524.08264 225.7
[M+CH3COO]- 538.09829 218.9
[M+Na-2H]- 500.05911 207.0
[M]+ 479.08389 228.1
[M]- 479.08499 228.1
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.