CID 2725786

Oprea1_432454

Structural Information

Molecular Formula
C17H24N2O5
SMILES
CC1CN(CC(O1)C)C(=O)COC2=CC=CC=C2OC(=O)N(C)C
InChI
InChI=1S/C17H24N2O5/c1-12-9-19(10-13(2)23-12)16(20)11-22-14-7-5-6-8-15(14)24-17(21)18(3)4/h5-8,12-13H,9-11H2,1-4H3
InChIKey
JLTPUKHHZYVRIM-UHFFFAOYSA-N
Compound name
[2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

336.16852 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.175796 179.6
[M+Na]+ 359.157738 183.8
[M-H]- 335.161244 186.3
[M+NH4]+ 354.202343 190.7
[M+K]+ 375.131678 184.9
[M+H-H2O]+ 319.165780 170.4
[M+HCOO]- 381.166721 197.4
[M+CH3COO]- 395.182371 215.5
[M+Na-2H]- 357.143186 179.4
[M]+ 336.16797142 182.6
[M]- 336.16906858 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.