CID 3039919

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

Structural Information

Molecular Formula
C23H38N2O5
SMILES
CCN(CC)CCN1CC(C(CC1C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C23H38N2O5/c1-8-24(9-2)10-11-25-15-16(3)19(12-17(25)4)30-23(26)18-13-20(27-5)22(29-7)21(14-18)28-6/h13-14,16-17,19H,8-12,15H2,1-7H3
InChIKey
DWNWSPTTZBMTKP-UHFFFAOYSA-N
Compound name
[1-[2-(diethylamino)ethyl]-2,5-dimethylpiperidin-4-yl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.27808 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.28536 205.2
[M+Na]+ 445.26730 209.0
[M-H]- 421.27080 210.9
[M+NH4]+ 440.31190 214.9
[M+K]+ 461.24124 208.3
[M+H-H2O]+ 405.27534 195.4
[M+HCOO]- 467.27628 222.5
[M+CH3COO]- 481.29193 237.9
[M+Na-2H]- 443.25275 200.4
[M]+ 422.27753 212.4
[M]- 422.27863 212.4
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.