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

0
Patents

362.22055 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 189.8
[M+Na]+ 385.20977 190.1
[M-H]- 361.21327 193.4
[M+NH4]+ 380.25437 198.3
[M+K]+ 401.18371 188.9
[M+H-H2O]+ 345.21781 180.2
[M+HCOO]- 407.21875 204.3
[M+CH3COO]- 421.23440 216.1
[M+Na-2H]- 383.19522 191.8
[M]+ 362.22000 189.5
[M]- 362.22110 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

No patent data available for this compound.