CID 11596713

3-bromo-4-[2-(4-methoxyphenyl)-1-methyl-indol-3-yl]pyrrole-2,5-dione

Structural Information

Molecular Formula
C20H15BrN2O3
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)OC)C4=C(C(=O)NC4=O)Br
InChI
InChI=1S/C20H15BrN2O3/c1-23-14-6-4-3-5-13(14)15(16-17(21)20(25)22-19(16)24)18(23)11-7-9-12(26-2)10-8-11/h3-10H,1-2H3,(H,22,24,25)
InChIKey
RKPISBUVBXVXBY-UHFFFAOYSA-N
Compound name
3-bromo-4-[2-(4-methoxyphenyl)-1-methylindol-3-yl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.0266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.033876 189.7
[M+Na]+ 433.015818 204.1
[M-H]- 409.019324 201.0
[M+NH4]+ 428.060423 206.1
[M+K]+ 448.989758 191.2
[M+H-H2O]+ 393.023860 188.5
[M+HCOO]- 455.024801 209.0
[M+CH3COO]- 469.040451 203.1
[M+Na-2H]- 431.001266 189.7
[M]+ 410.02605142 211.7
[M]- 410.02714858 211.7
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.