CID 54172

P-aminobenzoic acid 2-(2-(dipropylamino)ethoxy)ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCN(CCC)CCOCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O3/c1-3-9-19(10-4-2)11-12-21-13-14-22-17(20)15-5-7-16(18)8-6-15/h5-8H,3-4,9-14,18H2,1-2H3
InChIKey
LCMKGBKXNJZAJI-UHFFFAOYSA-N
Compound name
2-[2-(dipropylamino)ethoxy]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.217276 177.7
[M+Na]+ 331.199218 180.8
[M-H]- 307.202724 180.9
[M+NH4]+ 326.243823 192.2
[M+K]+ 347.173158 179.5
[M+H-H2O]+ 291.207260 169.1
[M+HCOO]- 353.208201 201.3
[M+CH3COO]- 367.223851 214.6
[M+Na-2H]- 329.184666 178.4
[M]+ 308.20945142 182.4
[M]- 308.21054858 182.4
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.