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]+ 301.227426 176.1
[M+Na]+ 323.209368 179.8
[M-H]- 299.212874 179.2
[M+NH4]+ 318.253973 193.1
[M+K]+ 339.183308 174.6
[M+H-H2O]+ 283.217410 167.9
[M+HCOO]- 345.218351 187.7
[M+CH3COO]- 359.234001 184.6
[M+Na-2H]- 321.194816 172.5
[M]+ 300.21960142 170.0
[M]- 300.22069858 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.