CID 50751

2-(diethylamino)ethyl 3-amino-4-ethoxybenzoate

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCN(CC)CCOC(=O)C1=CC(=C(C=C1)OCC)N
InChI
InChI=1S/C15H24N2O3/c1-4-17(5-2)9-10-20-15(18)12-7-8-14(19-6-3)13(16)11-12/h7-8,11H,4-6,9-10,16H2,1-3H3
InChIKey
JPXAKEUCMUAKFL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-amino-4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.185956 168.4
[M+Na]+ 303.167898 173.3
[M-H]- 279.171404 172.4
[M+NH4]+ 298.212503 184.4
[M+K]+ 319.141838 172.6
[M+H-H2O]+ 263.175940 160.5
[M+HCOO]- 325.176881 192.7
[M+CH3COO]- 339.192531 209.9
[M+Na-2H]- 301.153346 169.4
[M]+ 280.17813142 172.8
[M]- 280.17922858 172.8
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