CID 3061369

79039-00-2

Structural Information

Molecular Formula
C20H18N2O4
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)CC(=O)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C20H18N2O4/c1-25-13-18-12-22(20(24)26-18)17-7-5-14(6-8-17)10-19(23)16-4-2-3-15(9-16)11-21/h2-9,18H,10,12-13H2,1H3
InChIKey
JBFMPHGOVCPVFF-UHFFFAOYSA-N
Compound name
3-[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]acetyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 182.0
[M+Na]+ 373.11587 191.2
[M-H]- 349.11937 188.6
[M+NH4]+ 368.16047 192.1
[M+K]+ 389.08981 185.9
[M+H-H2O]+ 333.12391 166.1
[M+HCOO]- 395.12485 197.9
[M+CH3COO]- 409.14050 221.5
[M+Na-2H]- 371.10132 181.2
[M]+ 350.12610 178.9
[M]- 350.12720 178.9
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.