CID 11560328

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

Structural Information

Molecular Formula
C19H13BrN2O3
SMILES
COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3N2)C4=C(C(=O)NC4=O)Br
InChI
InChI=1S/C19H13BrN2O3/c1-25-11-6-4-5-10(9-11)17-14(12-7-2-3-8-13(12)21-17)15-16(20)19(24)22-18(15)23/h2-9,21H,1H3,(H,22,23,24)
InChIKey
BAKYIIGUNMTQIN-UHFFFAOYSA-N
Compound name
3-bromo-4-[2-(3-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.01096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.01824 185.6
[M+Na]+ 419.00018 199.1
[M-H]- 395.00368 195.4
[M+NH4]+ 414.04478 201.5
[M+K]+ 434.97412 185.6
[M+H-H2O]+ 379.00822 184.6
[M+HCOO]- 441.00916 203.9
[M+CH3COO]- 455.02481 198.4
[M+Na-2H]- 416.98563 186.3
[M]+ 396.01041 205.2
[M]- 396.01151 205.2
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.