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]+ 339.133926 176.6
[M+Na]+ 361.115868 186.3
[M-H]- 337.119374 183.2
[M+NH4]+ 356.160473 187.3
[M+K]+ 377.089808 181.2
[M+H-H2O]+ 321.123910 160.7
[M+HCOO]- 383.124851 193.6
[M+CH3COO]- 397.140501 218.7
[M+Na-2H]- 359.101316 177.4
[M]+ 338.12610142 174.4
[M]- 338.12719858 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