CID 3057384

4-(3-(6-methoxy-1,2,3,4-tetrahydro-1-naphthylamino)propyl)-1-piperazineethanol hydrochloride

Structural Information

Molecular Formula
C20H33N3O2
SMILES
COC1=CC2=C(C=C1)C(CCC2)NCCCN3CCN(CC3)CCO
InChI
InChI=1S/C20H33N3O2/c1-25-18-6-7-19-17(16-18)4-2-5-20(19)21-8-3-9-22-10-12-23(13-11-22)14-15-24/h6-7,16,20-21,24H,2-5,8-15H2,1H3
InChIKey
IXHFXVNONMMUOQ-UHFFFAOYSA-N
Compound name
2-[4-[3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.25726 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.26454 186.9
[M+Na]+ 370.24648 188.2
[M-H]- 346.24998 187.8
[M+NH4]+ 365.29108 196.8
[M+K]+ 386.22042 183.1
[M+H-H2O]+ 330.25452 176.2
[M+HCOO]- 392.25546 198.8
[M+CH3COO]- 406.27111 214.8
[M+Na-2H]- 368.23193 187.9
[M]+ 347.25671 181.9
[M]- 347.25781 181.9
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

No patent data available for this compound.