CID 204684

1-piperazinepropanol, n-(o-tolyl)-alpha-(3,4,5-trimethoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H32N2O4
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C23H32N2O4/c1-17-7-5-6-8-19(17)25-13-11-24(12-14-25)10-9-20(26)18-15-21(27-2)23(29-4)22(16-18)28-3/h5-8,15-16,20,26H,9-14H2,1-4H3
InChIKey
DLQUAXDVXRFXGM-UHFFFAOYSA-N
Compound name
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.24348 200.8
[M+Na]+ 423.22542 213.6
[M+NH4]+ 418.27002 206.4
[M+K]+ 439.19936 206.6
[M-H]- 399.22892 204.8
[M+Na-2H]- 421.21087 206.7
[M]+ 400.23565 203.7
[M]- 400.23675 203.7
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.