CID 167721813

Tert-butyl 2-(6-bromo-2-oxo-1,2-dihydroquinolin-1-yl)acetate

Structural Information

Molecular Formula
C15H16BrNO3
SMILES
CC(C)(C)OC(=O)CN1C2=C(C=CC1=O)C=C(C=C2)Br
InChI
InChI=1S/C15H16BrNO3/c1-15(2,3)20-14(19)9-17-12-6-5-11(16)8-10(12)4-7-13(17)18/h4-8H,9H2,1-3H3
InChIKey
HTIFNBLGJLMEPJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(6-bromo-2-oxoquinolin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.03137 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.03865 168.1
[M+Na]+ 360.02059 180.2
[M-H]- 336.02409 174.3
[M+NH4]+ 355.06519 185.8
[M+K]+ 375.99453 169.1
[M+H-H2O]+ 320.02863 167.4
[M+HCOO]- 382.02957 185.2
[M+CH3COO]- 396.04522 206.2
[M+Na-2H]- 358.00604 174.7
[M]+ 337.03082 190.5
[M]- 337.03192 190.5
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.