CID 19532

2,6-dimethyl-4-propoxy-benzoic acid 2-(1-pyrrolidinyl)propyl ester hydrochloride

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCOC1=CC(=C(C(=C1)C)C(=O)OCC(C)N2CCCC2)C
InChI
InChI=1S/C19H29NO3/c1-5-10-22-17-11-14(2)18(15(3)12-17)19(21)23-13-16(4)20-8-6-7-9-20/h11-12,16H,5-10,13H2,1-4H3
InChIKey
HWBRSIYEBXLHFB-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylpropyl 2,6-dimethyl-4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 179.9
[M+Na]+ 342.20397 184.5
[M-H]- 318.20747 184.5
[M+NH4]+ 337.24857 194.8
[M+K]+ 358.17791 182.0
[M+H-H2O]+ 302.21201 171.8
[M+HCOO]- 364.21295 198.0
[M+CH3COO]- 378.22860 209.9
[M+Na-2H]- 340.18942 176.4
[M]+ 319.21420 182.7
[M]- 319.21530 182.7
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.