CID 11581429

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

Structural Information

Molecular Formula
C18H11BrN2O2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4=C(C(=O)NC4=O)Br
InChI
InChI=1S/C18H11BrN2O2/c19-15-14(17(22)21-18(15)23)13-11-8-4-5-9-12(11)20-16(13)10-6-2-1-3-7-10/h1-9,20H,(H,21,22,23)
InChIKey
KFDBHDNMZXTIJC-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.0004 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00768 178.6
[M+Na]+ 388.98962 192.2
[M-H]- 364.99312 188.4
[M+NH4]+ 384.03422 195.7
[M+K]+ 404.96356 178.2
[M+H-H2O]+ 348.99766 177.9
[M+HCOO]- 410.99860 197.3
[M+CH3COO]- 425.01425 191.8
[M+Na-2H]- 386.97507 180.4
[M]+ 365.99985 196.4
[M]- 366.00095 196.4
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.