CID 206114

1-(6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)-2-(4-methylpiperazino)ethanol dihydrochloride

Structural Information

Molecular Formula
C18H28N2O
SMILES
CN1CCN(CC1)CC(C2=CC3=C(CCCCC3)C=C2)O
InChI
InChI=1S/C18H28N2O/c1-19-9-11-20(12-10-19)14-18(21)17-8-7-15-5-3-2-4-6-16(15)13-17/h7-8,13,18,21H,2-6,9-12,14H2,1H3
InChIKey
JADZMDFZQZQRAC-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 169.5
[M+Na]+ 311.20937 170.8
[M-H]- 287.21287 172.2
[M+NH4]+ 306.25397 181.3
[M+K]+ 327.18331 170.3
[M+H-H2O]+ 271.21741 160.5
[M+HCOO]- 333.21835 180.0
[M+CH3COO]- 347.23400 176.9
[M+Na-2H]- 309.19482 170.2
[M]+ 288.21960 159.6
[M]- 288.22070 159.6
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.