CID 119032025

7-bromo-8-fluoro-2-methoxy-3a-methyl-1h,2h,3h,3ah,4h,5h-pyrrolo[1,2-a]quinoxalin-4-one

Structural Information

Molecular Formula
C13H14BrFN2O2
SMILES
CC12CC(CN1C3=CC(=C(C=C3NC2=O)Br)F)OC
InChI
InChI=1S/C13H14BrFN2O2/c1-13-5-7(19-2)6-17(13)11-4-9(15)8(14)3-10(11)16-12(13)18/h3-4,7H,5-6H2,1-2H3,(H,16,18)
InChIKey
LRECPTRYJIFBLR-UHFFFAOYSA-N
Compound name
7-bromo-8-fluoro-2-methoxy-3a-methyl-1,2,3,5-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.02228 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02956 167.4
[M+Na]+ 351.01150 180.7
[M-H]- 327.01500 170.7
[M+NH4]+ 346.05610 188.3
[M+K]+ 366.98544 168.2
[M+H-H2O]+ 311.01954 166.8
[M+HCOO]- 373.02048 180.1
[M+CH3COO]- 387.03613 180.1
[M+Na-2H]- 348.99695 171.3
[M]+ 328.02173 184.1
[M]- 328.02283 184.1
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

No patent data available for this compound.