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

102
Patents

310.18927 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 175.0
[M+Na]+ 333.17849 180.5
[M-H]- 309.18199 176.9
[M+NH4]+ 328.22309 186.5
[M+K]+ 349.15243 177.9
[M+H-H2O]+ 293.18653 165.6
[M+HCOO]- 355.18747 190.9
[M+CH3COO]- 369.20312 204.8
[M+Na-2H]- 331.16394 175.8
[M]+ 310.18872 176.9
[M]- 310.18982 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