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 192.2
[M+Na]+ 389.21996 197.0
[M-H]- 365.22346 195.5
[M+NH4]+ 384.26456 204.4
[M+K]+ 405.19390 190.9
[M+H-H2O]+ 349.22800 183.8
[M+HCOO]- 411.22894 209.9
[M+CH3COO]- 425.24459 215.7
[M+Na-2H]- 387.20541 194.9
[M]+ 366.23019 193.9
[M]- 366.23129 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