CID 3051314

67383-63-5

Structural Information

Molecular Formula
C24H30N2O
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)C(CN4CCN(CC4)C5=CC=CC=C5)O
InChI
InChI=1S/C24H30N2O/c27-23(17-25-12-14-26(15-13-25)20-8-2-1-3-9-20)24-21-10-4-6-18(21)16-19-7-5-11-22(19)24/h1-3,8-9,16,23,27H,4-7,10-15,17H2
InChIKey
DQUOREQOCJBRJJ-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 191.5
[M+Na]+ 385.22502 202.9
[M+NH4]+ 380.26962 200.6
[M+K]+ 401.19896 197.9
[M-H]- 361.22852 196.9
[M+Na-2H]- 383.21047 196.1
[M]+ 362.23525 194.5
[M]- 362.23635 194.5
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.