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]+ 329.25874 184.4
[M+Na]+ 351.24068 187.4
[M-H]- 327.24418 186.9
[M+NH4]+ 346.28528 200.2
[M+K]+ 367.21462 181.3
[M+H-H2O]+ 311.24872 175.4
[M+HCOO]- 373.24966 196.2
[M+CH3COO]- 387.26531 192.0
[M+Na-2H]- 349.22613 180.8
[M]+ 328.25091 179.4
[M]- 328.25201 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.