CID 827194

1-piperazineethanol, 4-(3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H32N2O
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)CCCN4CCN(CC4)CCO
InChI
InChI=1S/C21H32N2O/c24-15-14-23-12-10-22(11-13-23)9-3-8-21-19-6-1-4-17(19)16-18-5-2-7-20(18)21/h16,24H,1-15H2
InChIKey
JQTXFWSBYJZDFF-UHFFFAOYSA-N
Compound name
2-[4-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.258736 184.4
[M+Na]+ 351.240678 187.4
[M-H]- 327.244184 186.9
[M+NH4]+ 346.285283 200.2
[M+K]+ 367.214618 181.3
[M+H-H2O]+ 311.248720 175.4
[M+HCOO]- 373.249661 196.2
[M+CH3COO]- 387.265311 192.0
[M+Na-2H]- 349.226126 180.8
[M]+ 328.25091142 179.4
[M]- 328.25200858 179.4
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.