CID 11530884

5-[(1r)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1h-quinolin-2-one

Structural Information

Molecular Formula
C18H16BrNO3
SMILES
C1=CC=C(C=C1)COC2=C3C(=C(C=C2)[C@H](CBr)O)C=CC(=O)N3
InChI
InChI=1S/C18H16BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,20,22)/t15-/m0/s1
InChIKey
GNFMSZCSSUZAGV-HNNXBMFYSA-N
Compound name
5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

373.03137 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.03865 178.2
[M+Na]+ 396.02059 187.9
[M-H]- 372.02409 184.1
[M+NH4]+ 391.06519 192.2
[M+K]+ 411.99453 174.9
[M+H-H2O]+ 356.02863 176.2
[M+HCOO]- 418.02957 193.8
[M+CH3COO]- 432.04522 207.9
[M+Na-2H]- 394.00604 183.6
[M]+ 373.03082 196.7
[M]- 373.03192 196.7
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