CID 3077192

1-((1,1-dimethylethyl)amino)-3-(2-((1h-indol-4-yl)methyl)phenoxy)-2-propanol benzoate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1CC2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C22H28N2O2/c1-22(2,3)24-14-18(25)15-26-21-10-5-4-7-17(21)13-16-8-6-9-20-19(16)11-12-23-20/h4-12,18,23-25H,13-15H2,1-3H3
InChIKey
ISXHULIFMDDOPE-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-(1H-indol-4-ylmethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

352.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 187.7
[M+Na]+ 375.204318 193.0
[M-H]- 351.207824 191.2
[M+NH4]+ 370.248923 200.5
[M+K]+ 391.178258 187.0
[M+H-H2O]+ 335.212360 179.5
[M+HCOO]- 397.213301 205.8
[M+CH3COO]- 411.228951 212.8
[M+Na-2H]- 373.189766 190.9
[M]+ 352.21455142 189.1
[M]- 352.21564858 189.1
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

patents stripe