CID 58154458

Ethyl 3-amino-5-morpholin-4-yl-benzoate

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCOC(=O)C1=CC(=CC(=C1)N2CCOCC2)N
InChI
InChI=1S/C13H18N2O3/c1-2-18-13(16)10-7-11(14)9-12(8-10)15-3-5-17-6-4-15/h7-9H,2-6,14H2,1H3
InChIKey
SERPGADGXXXVDL-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-morpholin-4-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

250.13174 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 158.2
[M+Na]+ 273.120958 163.2
[M-H]- 249.124464 163.1
[M+NH4]+ 268.165563 171.8
[M+K]+ 289.094898 162.1
[M+H-H2O]+ 233.129000 149.7
[M+HCOO]- 295.129941 176.6
[M+CH3COO]- 309.145591 195.0
[M+Na-2H]- 271.106406 161.3
[M]+ 250.13119142 155.7
[M]- 250.13228858 155.7
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

patents stripe