CID 3039931

D-1-(3-(diethylamino)propyl)-2,5-dimethyl-4-piperidinol 3,4,5-trimethoxybenzoate ditartrate

Structural Information

Molecular Formula
C24H40N2O5
SMILES
CCN(CC)CCCN1CC(C(CC1C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C24H40N2O5/c1-8-25(9-2)11-10-12-26-16-17(3)20(13-18(26)4)31-24(27)19-14-21(28-5)23(30-7)22(15-19)29-6/h14-15,17-18,20H,8-13,16H2,1-7H3
InChIKey
QCQIVBGEQAXCIA-UHFFFAOYSA-N
Compound name
[1-[3-(diethylamino)propyl]-2,5-dimethylpiperidin-4-yl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.29373 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.30101 209.7
[M+Na]+ 459.28295 213.0
[M-H]- 435.28645 215.2
[M+NH4]+ 454.32755 218.7
[M+K]+ 475.25689 212.1
[M+H-H2O]+ 419.29099 199.7
[M+HCOO]- 481.29193 226.6
[M+CH3COO]- 495.30758 240.8
[M+Na-2H]- 457.26840 204.4
[M]+ 436.29318 217.2
[M]- 436.29428 217.2
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.