CID 58839

Br 91

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CCC(C1=CC=CC=C1)(C(=O)NCCCN2CCOCC2)C(=O)OCC
InChI
InChI=1S/C20H30N2O4/c1-3-20(19(24)26-4-2,17-9-6-5-7-10-17)18(23)21-11-8-12-22-13-15-25-16-14-22/h5-7,9-10H,3-4,8,11-16H2,1-2H3,(H,21,23)
InChIKey
RNESLQNPFRXTQB-UHFFFAOYSA-N
Compound name
ethyl 2-(3-morpholin-4-ylpropylcarbamoyl)-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

362.22055 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.227826 189.8
[M+Na]+ 385.209768 190.1
[M-H]- 361.213274 193.4
[M+NH4]+ 380.254373 198.3
[M+K]+ 401.183708 188.9
[M+H-H2O]+ 345.217810 180.2
[M+HCOO]- 407.218751 204.3
[M+CH3COO]- 421.234401 216.1
[M+Na-2H]- 383.195216 191.8
[M]+ 362.22000142 189.5
[M]- 362.22109858 189.5
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