CID 11634846

7-[3-(4-bromo-2,5-dioxo-pyrrol-3-yl)-1h-indol-2-yl]-n-(o-tolyl)heptanamide

Structural Information

Molecular Formula
C26H26BrN3O3
SMILES
CC1=CC=CC=C1NC(=O)CCCCCCC2=C(C3=CC=CC=C3N2)C4=C(C(=O)NC4=O)Br
InChI
InChI=1S/C26H26BrN3O3/c1-16-10-6-8-12-18(16)29-21(31)15-5-3-2-4-14-20-22(17-11-7-9-13-19(17)28-20)23-24(27)26(33)30-25(23)32/h6-13,28H,2-5,14-15H2,1H3,(H,29,31)(H,30,32,33)
InChIKey
ZGNZZHRCXHSDPG-UHFFFAOYSA-N
Compound name
7-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

507.11575 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.12303 217.6
[M+Na]+ 530.10497 226.6
[M-H]- 506.10847 226.1
[M+NH4]+ 525.14957 228.5
[M+K]+ 546.07891 211.8
[M+H-H2O]+ 490.11301 214.7
[M+HCOO]- 552.11395 233.5
[M+CH3COO]- 566.12960 234.8
[M+Na-2H]- 528.09042 214.5
[M]+ 507.11520 237.1
[M]- 507.11630 237.1
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.