CID 3049204

Md 760548

Structural Information

Molecular Formula
C17H16ClNO4
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl)CO
InChI
InChI=1S/C17H16ClNO4/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
PFINJTNHNFCVOD-UHFFFAOYSA-N
Compound name
3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.07678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08406 174.8
[M+Na]+ 356.06600 189.3
[M+NH4]+ 351.11060 182.1
[M+K]+ 372.03994 183.9
[M-H]- 332.06950 180.3
[M+Na-2H]- 354.05145 181.8
[M]+ 333.07623 178.7
[M]- 333.07733 178.7
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