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]+ 368.258406 194.3
[M+Na]+ 390.240348 196.8
[M-H]- 366.243854 199.3
[M+NH4]+ 385.284953 208.2
[M+K]+ 406.214288 192.3
[M+H-H2O]+ 350.248390 186.7
[M+HCOO]- 412.249331 210.6
[M+CH3COO]- 426.264981 219.9
[M+Na-2H]- 388.225796 193.7
[M]+ 367.25058142 194.2
[M]- 367.25167858 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.