CID 3053578

Brn 1163031

Structural Information

Molecular Formula
C17H16BrNO4
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)OCC3=CC(=CC=C3)Br)CO
InChI
InChI=1S/C17H16BrNO4/c18-13-3-1-2-12(8-13)11-22-15-6-4-14(5-7-15)19-9-16(10-20)23-17(19)21/h1-8,16,20H,9-11H2
InChIKey
LWFMZQGLJGNUIE-UHFFFAOYSA-N
Compound name
3-[4-[(3-bromophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.02628 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03356 180.1
[M+Na]+ 400.01550 190.1
[M-H]- 376.01900 190.3
[M+NH4]+ 395.06010 194.2
[M+K]+ 415.98944 179.7
[M+H-H2O]+ 360.02354 178.3
[M+HCOO]- 422.02448 197.5
[M+CH3COO]- 436.04013 208.5
[M+Na-2H]- 398.00095 182.5
[M]+ 377.02573 199.9
[M]- 377.02683 199.9
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.