CID 3048816

2,3-dihydro-alpha-(1-((2-(4-(1,1-dimethylethyl)phenoxy)ethyl)amino)ethyl)-1h-indenemethanol

Structural Information

Molecular Formula
C24H33NO2
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)NCCOC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C24H33NO2/c1-17(23(26)20-9-8-18-6-5-7-19(18)16-20)25-14-15-27-22-12-10-21(11-13-22)24(2,3)4/h8-13,16-17,23,25-26H,5-7,14-15H2,1-4H3
InChIKey
ICAGKKJQJAQQFZ-UHFFFAOYSA-N
Compound name
2-[2-(4-tert-butylphenoxy)ethylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.25113 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25841 194.3
[M+Na]+ 390.24035 196.8
[M-H]- 366.24385 199.3
[M+NH4]+ 385.28495 208.2
[M+K]+ 406.21429 192.3
[M+H-H2O]+ 350.24839 186.7
[M+HCOO]- 412.24933 210.6
[M+CH3COO]- 426.26498 219.9
[M+Na-2H]- 388.22580 193.7
[M]+ 367.25058 194.2
[M]- 367.25168 194.2
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.