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]+ 411.03388 189.7
[M+Na]+ 433.01582 204.1
[M-H]- 409.01932 201.0
[M+NH4]+ 428.06042 206.1
[M+K]+ 448.98976 191.2
[M+H-H2O]+ 393.02386 188.5
[M+HCOO]- 455.02480 209.0
[M+CH3COO]- 469.04045 203.1
[M+Na-2H]- 431.00127 189.7
[M]+ 410.02605 211.7
[M]- 410.02715 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.