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

273
Patents

373.03137 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.038646 178.2
[M+Na]+ 396.020588 187.9
[M-H]- 372.024094 184.1
[M+NH4]+ 391.065193 192.2
[M+K]+ 411.994528 174.9
[M+H-H2O]+ 356.028630 176.2
[M+HCOO]- 418.029571 193.8
[M+CH3COO]- 432.045221 207.9
[M+Na-2H]- 394.006036 183.6
[M]+ 373.03082142 196.7
[M]- 373.03191858 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