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 200.3
[M+Na]+ 423.22542 204.3
[M-H]- 399.22892 205.0
[M+NH4]+ 418.27002 207.5
[M+K]+ 439.19936 200.3
[M+H-H2O]+ 383.23346 188.8
[M+HCOO]- 445.23440 213.9
[M+CH3COO]- 459.25005 223.7
[M+Na-2H]- 421.21087 197.9
[M]+ 400.23565 201.5
[M]- 400.23675 201.5
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.