CID 3051303

67367-91-3

Structural Information

Molecular Formula
C19H28N2O
SMILES
CN1CCN(CC1)CC(C2=C3CCCC3=CC4=C2CCC4)O
InChI
InChI=1S/C19H28N2O/c1-20-8-10-21(11-9-20)13-18(22)19-16-6-2-4-14(16)12-15-5-3-7-17(15)19/h12,18,22H,2-11,13H2,1H3
InChIKey
ZKEAKDPVKNIOTF-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 176.1
[M+Na]+ 323.20937 179.8
[M-H]- 299.21287 179.2
[M+NH4]+ 318.25397 193.1
[M+K]+ 339.18331 174.6
[M+H-H2O]+ 283.21741 167.9
[M+HCOO]- 345.21835 187.7
[M+CH3COO]- 359.23400 184.6
[M+Na-2H]- 321.19482 172.5
[M]+ 300.21960 170.0
[M]- 300.22070 170.0
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.