CID 6445266

3-(4-(3,4,5-trimethoxycinnamoyl)piperazinyl)-1,2-propandiol hydrochloride

Structural Information

Molecular Formula
C19H28N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(CO)O
InChI
InChI=1S/C19H28N2O6/c1-25-16-10-14(11-17(26-2)19(16)27-3)4-5-18(24)21-8-6-20(7-9-21)12-15(23)13-22/h4-5,10-11,15,22-23H,6-9,12-13H2,1-3H3/b5-4+
InChIKey
LCAGHSJBWBTWFL-SNAWJCMRSA-N
Compound name
(E)-1-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19473 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20201 190.7
[M+Na]+ 403.18395 194.2
[M-H]- 379.18745 191.0
[M+NH4]+ 398.22855 198.2
[M+K]+ 419.15789 191.6
[M+H-H2O]+ 363.19199 181.3
[M+HCOO]- 425.19293 202.9
[M+CH3COO]- 439.20858 215.0
[M+Na-2H]- 401.16940 187.7
[M]+ 380.19418 192.0
[M]- 380.19528 192.0
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.