CID 3049531

64966-21-8

Structural Information

Molecular Formula
C17H28N2O4
SMILES
CC(CN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)O
InChI
InChI=1S/C17H28N2O4/c1-13(20)11-18-7-9-19(10-8-18)12-14-5-6-15(21-2)17(23-4)16(14)22-3/h5-6,13,20H,7-12H2,1-4H3
InChIKey
QNWPDCDBRZREHC-UHFFFAOYSA-N
Compound name
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 179.3
[M+Na]+ 347.19412 184.1
[M-H]- 323.19762 181.1
[M+NH4]+ 342.23872 190.1
[M+K]+ 363.16806 181.8
[M+H-H2O]+ 307.20216 169.9
[M+HCOO]- 369.20310 193.9
[M+CH3COO]- 383.21875 208.7
[M+Na-2H]- 345.17957 178.4
[M]+ 324.20435 181.0
[M]- 324.20545 181.0
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.