CID 3062767

1-(1,1-(dimethylethyl)amino)-3-(2-(2-(1h-indol-4-yl)ethyl)phenoxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1CCC2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C23H30N2O2/c1-23(2,3)25-15-19(26)16-27-22-10-5-4-7-18(22)12-11-17-8-6-9-21-20(17)13-14-24-21/h4-10,13-14,19,24-26H,11-12,15-16H2,1-3H3
InChIKey
ZKXVRCHARRBEAJ-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

366.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.2
[M+Na]+ 389.219958 197.0
[M-H]- 365.223464 195.5
[M+NH4]+ 384.264563 204.4
[M+K]+ 405.193898 190.9
[M+H-H2O]+ 349.228000 183.8
[M+HCOO]- 411.228941 209.9
[M+CH3COO]- 425.244591 215.7
[M+Na-2H]- 387.205406 194.9
[M]+ 366.23019142 193.9
[M]- 366.23128858 193.9
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