CID 2918413

67465-86-5

Structural Information

Molecular Formula
C18H28N2O3
SMILES
C1CC2=C(C1)C=C(C=C2)OCC(CN3CCN(CC3)CCO)O
InChI
InChI=1S/C18H28N2O3/c21-11-10-19-6-8-20(9-7-19)13-17(22)14-23-18-5-4-15-2-1-3-16(15)12-18/h4-5,12,17,21-22H,1-3,6-11,13-14H2
InChIKey
NMLCHPNWMKTBSH-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-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 178.4
[M+Na]+ 343.19922 180.6
[M-H]- 319.20272 178.8
[M+NH4]+ 338.24382 190.7
[M+K]+ 359.17316 176.4
[M+H-H2O]+ 303.20726 169.4
[M+HCOO]- 365.20820 190.0
[M+CH3COO]- 379.22385 202.5
[M+Na-2H]- 341.18467 177.3
[M]+ 320.20945 174.4
[M]- 320.21055 174.4
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.