CID 6447712

(e)-1-((1,1-dimethylethyl)amino)-3-(2-(2-(1h-indol-4-yl)ethenyl)phenoxy)-2-propanol hcl

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1/C=C/C2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C23H28N2O2/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/h4-14,19,24-26H,15-16H2,1-3H3/b12-11+
InChIKey
DOPAFSOCZLSEIP-VAWYXSNFSA-N
Compound name
1-(tert-butylamino)-3-[2-[(E)-2-(1H-indol-4-yl)ethenyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

364.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 191.9
[M+Na]+ 387.20432 203.4
[M+NH4]+ 382.24892 198.3
[M+K]+ 403.17826 197.8
[M-H]- 363.20782 194.6
[M+Na-2H]- 385.18977 197.8
[M]+ 364.21455 194.2
[M]- 364.21565 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

patents stripe