CID 58026

100811-87-8

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)N)OCC
InChI
InChI=1S/C16H26N2O3/c1-4-18(5-2)10-7-11-21-16(19)14-9-8-13(17)12-15(14)20-6-3/h8-9,12H,4-7,10-11,17H2,1-3H3
InChIKey
WGNGHMVPEMPZBH-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 4-amino-2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.19434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 173.0
[M+Na]+ 317.18356 177.5
[M-H]- 293.18706 176.8
[M+NH4]+ 312.22816 188.4
[M+K]+ 333.15750 176.5
[M+H-H2O]+ 277.19160 164.9
[M+HCOO]- 339.19254 196.9
[M+CH3COO]- 353.20819 212.9
[M+Na-2H]- 315.16901 173.5
[M]+ 294.19379 177.8
[M]- 294.19489 177.8
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