CID 11494656

3-bromo-4-(1-methyl-2-phenyl-indol-3-yl)pyrrole-2,5-dione

Structural Information

Molecular Formula
C19H13BrN2O2
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=C(C(=O)NC4=O)Br
InChI
InChI=1S/C19H13BrN2O2/c1-22-13-10-6-5-9-12(13)14(15-16(20)19(24)21-18(15)23)17(22)11-7-3-2-4-8-11/h2-10H,1H3,(H,21,23,24)
InChIKey
LFEGNRVCAJTFPY-UHFFFAOYSA-N
Compound name
3-bromo-4-(1-methyl-2-phenylindol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.01605 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.02333 182.8
[M+Na]+ 403.00527 197.3
[M-H]- 379.00877 194.0
[M+NH4]+ 398.04987 200.3
[M+K]+ 418.97921 183.8
[M+H-H2O]+ 363.01331 181.9
[M+HCOO]- 425.01425 202.5
[M+CH3COO]- 439.02990 196.6
[M+Na-2H]- 400.99072 183.8
[M]+ 380.01550 203.0
[M]- 380.01660 203.0
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.