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

31
Patents

250.13174 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.2
[M+Na]+ 273.12096 163.2
[M-H]- 249.12446 163.1
[M+NH4]+ 268.16556 171.8
[M+K]+ 289.09490 162.1
[M+H-H2O]+ 233.12900 149.7
[M+HCOO]- 295.12994 176.6
[M+CH3COO]- 309.14559 195.0
[M+Na-2H]- 271.10641 161.3
[M]+ 250.13119 155.7
[M]- 250.13229 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