CID 52249

Benzoic acid, p-amino-, 2-(2-(2-(diethylamino)ethoxy)ethoxy)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H28N2O4
SMILES
CCN(CC)CCOCCOCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O4/c1-3-19(4-2)9-10-21-11-12-22-13-14-23-17(20)15-5-7-16(18)8-6-15/h5-8H,3-4,9-14,18H2,1-2H3
InChIKey
LTCQIOKCMBRQCJ-UHFFFAOYSA-N
Compound name
2-[2-[2-(diethylamino)ethoxy]ethoxy]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 180.1
[M+Na]+ 347.19412 183.1
[M-H]- 323.19762 183.3
[M+NH4]+ 342.23872 193.8
[M+K]+ 363.16806 182.4
[M+H-H2O]+ 307.20216 171.3
[M+HCOO]- 369.20310 203.9
[M+CH3COO]- 383.21875 216.7
[M+Na-2H]- 345.17957 180.9
[M]+ 324.20435 186.2
[M]- 324.20545 186.2
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.