CID 3061375

4'-(5-(methoxymethyl)-2-oxo-3-oxazolidinyl)-(1,1'-biphenyl)-3-carbonitrile

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C18H16N2O3/c1-22-12-17-11-20(18(21)23-17)16-7-5-14(6-8-16)15-4-2-3-13(9-15)10-19/h2-9,17H,11-12H2,1H3
InChIKey
QOSWUOMZYFFFNP-UHFFFAOYSA-N
Compound name
3-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 170.7
[M+Na]+ 331.105318 181.1
[M-H]- 307.108824 177.6
[M+NH4]+ 326.149923 182.7
[M+K]+ 347.079258 175.5
[M+H-H2O]+ 291.113360 155.2
[M+HCOO]- 353.114301 187.9
[M+CH3COO]- 367.129951 214.1
[M+Na-2H]- 329.090766 171.9
[M]+ 308.11555142 167.0
[M]- 308.11664858 167.0
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.