CID 3051920

1-piperidinepropanamide, 4-(4-chlorophenyl)-4-hydroxy-n-(3,4,5-trimethoxyphenyl)-, hydrochloride, hydrate (1:1:2)

Structural Information

Molecular Formula
C23H29ClN2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)CCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C23H29ClN2O5/c1-29-19-14-18(15-20(30-2)22(19)31-3)25-21(27)8-11-26-12-9-23(28,10-13-26)16-4-6-17(24)7-5-16/h4-7,14-15,28H,8-13H2,1-3H3,(H,25,27)
InChIKey
DPBYMSMNKPMVNJ-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1765 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18378 205.0
[M+Na]+ 471.16572 210.2
[M-H]- 447.16922 211.4
[M+NH4]+ 466.21032 214.3
[M+K]+ 487.13966 205.8
[M+H-H2O]+ 431.17376 195.6
[M+HCOO]- 493.17470 217.1
[M+CH3COO]- 507.19035 230.1
[M+Na-2H]- 469.15117 204.6
[M]+ 448.17595 208.7
[M]- 448.17705 208.7
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.