CID 449190

Mesopram

Structural Information

Molecular Formula
C14H19NO4
SMILES
CCCOC1=C(C=CC(=C1)[C@@]2(CNC(=O)O2)C)OC
InChI
InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
InChIKey
PCCPERGCFKIYIS-AWEZNQCLSA-N
Compound name
(5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

2780
Patents

265.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 158.5
[M+Na]+ 288.12062 166.4
[M-H]- 264.12412 163.4
[M+NH4]+ 283.16522 175.7
[M+K]+ 304.09456 164.9
[M+H-H2O]+ 248.12866 152.1
[M+HCOO]- 310.12960 178.1
[M+CH3COO]- 324.14525 193.1
[M+Na-2H]- 286.10607 161.9
[M]+ 265.13085 161.4
[M]- 265.13195 161.4
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

No patent data available for this compound.