CID 19535

P-(2-((diethylamino)methyl)butoxy)benzoic acid p-methoxyphenyl ester hydrochloride

Structural Information

Molecular Formula
C23H31NO4
SMILES
CCCC(CN(CC)CC)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C23H31NO4/c1-5-8-22(17-24(6-2)7-3)27-20-11-9-18(10-12-20)23(25)28-21-15-13-19(26-4)14-16-21/h9-16,22H,5-8,17H2,1-4H3
InChIKey
JWUZEQNRJCLESK-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 4-[1-(diethylamino)pentan-2-yloxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2253 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 195.8
[M+Na]+ 408.21452 206.9
[M+NH4]+ 403.25912 201.8
[M+K]+ 424.18846 200.1
[M-H]- 384.21802 199.5
[M+Na-2H]- 406.19997 202.0
[M]+ 385.22475 198.3
[M]- 385.22585 198.3
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.