CID 57900

100482-41-5

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCNC1=CC=C(C=C1)C(=O)OCC(CN2CCCC2)O
InChI
InChI=1S/C17H26N2O3/c1-2-9-18-15-7-5-14(6-8-15)17(21)22-13-16(20)12-19-10-3-4-11-19/h5-8,16,18,20H,2-4,9-13H2,1H3
InChIKey
FQWUSQSIOVUGTO-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-pyrrolidin-1-ylpropyl) 4-(propylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 175.1
[M+Na]+ 329.18356 177.2
[M-H]- 305.18706 177.7
[M+NH4]+ 324.22816 188.7
[M+K]+ 345.15750 174.3
[M+H-H2O]+ 289.19160 166.4
[M+HCOO]- 351.19254 193.4
[M+CH3COO]- 365.20819 204.1
[M+Na-2H]- 327.16901 174.1
[M]+ 306.19379 173.6
[M]- 306.19489 173.6
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.