CID 57821

100347-79-3

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)OCC2=CC=CC=C2
InChI
InChI=1S/C20H26N2O3/c1-3-22(4-2)12-13-24-20(23)18-11-10-17(21)14-19(18)25-15-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15,21H2,1-2H3
InChIKey
AZDQFQLRQQYWEW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-amino-2-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.7
[M+Na]+ 365.18356 188.6
[M-H]- 341.18706 191.5
[M+NH4]+ 360.22816 197.6
[M+K]+ 381.15750 186.2
[M+H-H2O]+ 325.19160 175.1
[M+HCOO]- 387.19254 208.7
[M+CH3COO]- 401.20819 220.5
[M+Na-2H]- 363.16901 185.8
[M]+ 342.19379 188.3
[M]- 342.19489 188.3
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.