CID 57898

Benzoic acid, p-(propylamino)-, 2-hydroxy-3-(propylamino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCCNCC(COC(=O)C1=CC=C(C=C1)NCCC)O
InChI
InChI=1S/C16H26N2O3/c1-3-9-17-11-15(19)12-21-16(20)13-5-7-14(8-6-13)18-10-4-2/h5-8,15,17-19H,3-4,9-12H2,1-2H3
InChIKey
JWCRTXJAWOZTGX-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(propylamino)propyl] 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.20162 173.1
[M+Na]+ 317.18356 180.7
[M+NH4]+ 312.22816 178.4
[M+K]+ 333.15750 175.4
[M-H]- 293.18706 173.9
[M+Na-2H]- 315.16901 176.2
[M]+ 294.19379 173.9
[M]- 294.19489 173.9
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.