CID 3060197

2-ethyl-3-(3,5-dibromo-4-hydroxybenzoyl)indolizine

Structural Information

Molecular Formula
C17H13Br2NO2
SMILES
CCC1=C(N2C=CC=CC2=C1)C(=O)C3=CC(=C(C(=C3)Br)O)Br
InChI
InChI=1S/C17H13Br2NO2/c1-2-10-7-12-5-3-4-6-20(12)15(10)16(21)11-8-13(18)17(22)14(19)9-11/h3-9,22H,2H2,1H3
InChIKey
RUKYQIMPYDSWNF-UHFFFAOYSA-N
Compound name
(3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

420.9313 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.93858 172.8
[M+Na]+ 443.92052 184.5
[M-H]- 419.92402 181.3
[M+NH4]+ 438.96512 189.0
[M+K]+ 459.89446 168.9
[M+H-H2O]+ 403.92856 180.4
[M+HCOO]- 465.92950 187.3
[M+CH3COO]- 479.94515 185.5
[M+Na-2H]- 441.90597 176.1
[M]+ 420.93075 209.0
[M]- 420.93185 209.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe