CID 2223657

1-piperazineethanol, 4-((2,3,4-trimethoxyphenyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H26N2O4
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CCO)OC)OC
InChI
InChI=1S/C16H26N2O4/c1-20-14-5-4-13(15(21-2)16(14)22-3)12-18-8-6-17(7-9-18)10-11-19/h4-5,19H,6-12H2,1-3H3
InChIKey
PCFSGQBTZGNFKL-UHFFFAOYSA-N
Compound name
2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

310.18927 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.196546 175.0
[M+Na]+ 333.178488 180.5
[M-H]- 309.181994 176.9
[M+NH4]+ 328.223093 186.5
[M+K]+ 349.152428 177.9
[M+H-H2O]+ 293.186530 165.6
[M+HCOO]- 355.187471 190.9
[M+CH3COO]- 369.203121 204.8
[M+Na-2H]- 331.163936 175.8
[M]+ 310.18872142 176.9
[M]- 310.18981858 176.9
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

patents stripe