CID 827193

Vufb-12243

Structural Information

Molecular Formula
C20H30N2O
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)CCN4CCN(CC4)CCO
InChI
InChI=1S/C20H30N2O/c23-14-13-22-11-9-21(10-12-22)8-7-20-18-5-1-3-16(18)15-17-4-2-6-19(17)20/h15,23H,1-14H2
InChIKey
LHOSHLYHYIOZMG-UHFFFAOYSA-N
Compound name
2-[4-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 180.0
[M+Na]+ 337.22502 183.5
[M-H]- 313.22852 182.7
[M+NH4]+ 332.26962 196.4
[M+K]+ 353.19896 177.5
[M+H-H2O]+ 297.23306 171.2
[M+HCOO]- 359.23400 192.2
[M+CH3COO]- 373.24965 188.1
[M+Na-2H]- 335.21047 176.9
[M]+ 314.23525 174.7
[M]- 314.23635 174.7
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.