CID 3051473

Brn 0557006

Structural Information

Molecular Formula
C18H28N2O3
SMILES
C1CC2=C(C1)C(=CC=C2)OCC(CN3CCN(CC3)CCO)O
InChI
InChI=1S/C18H28N2O3/c21-12-11-19-7-9-20(10-8-19)13-16(22)14-23-18-6-2-4-15-3-1-5-17(15)18/h2,4,6,16,21-22H,1,3,5,7-14H2
InChIKey
UKPUBHVJAPDNPP-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-4-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.3
[M+Na]+ 343.19922 188.0
[M+NH4]+ 338.24382 185.8
[M+K]+ 359.17316 183.9
[M-H]- 319.20272 180.4
[M+Na-2H]- 341.18467 181.6
[M]+ 320.20945 180.5
[M]- 320.21055 180.5
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.