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

4
Patents

366.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 192.7
[M+Na]+ 389.21996 204.0
[M+NH4]+ 384.26456 199.3
[M+K]+ 405.19390 198.6
[M-H]- 365.22346 195.6
[M+Na-2H]- 387.20541 198.7
[M]+ 366.23019 195.1
[M]- 366.23129 195.1
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