CID 58838

Br 81

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCC(C1=CC=CC=C1)(C(=O)NCCN2CCOCC2)C(=O)OCC
InChI
InChI=1S/C19H28N2O4/c1-3-19(18(23)25-4-2,16-8-6-5-7-9-16)17(22)20-10-11-21-12-14-24-15-13-21/h5-9H,3-4,10-15H2,1-2H3,(H,20,22)
InChIKey
MRMBRFVLYMUNLE-UHFFFAOYSA-N
Compound name
ethyl 2-(2-morpholin-4-ylethylcarbamoyl)-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2049 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 185.3
[M+Na]+ 371.19412 186.1
[M-H]- 347.19762 189.2
[M+NH4]+ 366.23872 194.4
[M+K]+ 387.16806 185.1
[M+H-H2O]+ 331.20216 175.9
[M+HCOO]- 393.20310 200.2
[M+CH3COO]- 407.21875 213.1
[M+Na-2H]- 369.17957 187.8
[M]+ 348.20435 184.7
[M]- 348.20545 184.7
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.