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]+ 309.12338 170.7
[M+Na]+ 331.10532 181.1
[M-H]- 307.10882 177.6
[M+NH4]+ 326.14992 182.7
[M+K]+ 347.07926 175.5
[M+H-H2O]+ 291.11336 155.2
[M+HCOO]- 353.11430 187.9
[M+CH3COO]- 367.12995 214.1
[M+Na-2H]- 329.09077 171.9
[M]+ 308.11555 167.0
[M]- 308.11665 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.