CID 3061372

79039-03-5

Structural Information

Molecular Formula
C19H18N2O4
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)COC3=CC=CC(=C3)C#N
InChI
InChI=1S/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-7-5-14(6-8-16)12-24-17-4-2-3-15(9-17)10-20/h2-9,18H,11-13H2,1H3
InChIKey
JMWAMXPSDUCNRQ-UHFFFAOYSA-N
Compound name
3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]methoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.12665 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 176.6
[M+Na]+ 361.11587 186.3
[M-H]- 337.11937 183.2
[M+NH4]+ 356.16047 187.3
[M+K]+ 377.08981 181.2
[M+H-H2O]+ 321.12391 160.7
[M+HCOO]- 383.12485 193.6
[M+CH3COO]- 397.14050 218.7
[M+Na-2H]- 359.10132 177.4
[M]+ 338.12610 174.4
[M]- 338.12720 174.4
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