CID 3077202

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

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=C)C2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C23H28N2O2/c1-16(18-9-7-10-21-20(18)12-13-24-21)19-8-5-6-11-22(19)27-15-17(26)14-25-23(2,3)4/h5-13,17,24-26H,1,14-15H2,2-4H3
InChIKey
DLAMKKQWCICHPZ-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

364.2151 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 191.4
[M+Na]+ 387.204318 196.2
[M-H]- 363.207824 194.9
[M+NH4]+ 382.248923 203.5
[M+K]+ 403.178258 190.1
[M+H-H2O]+ 347.212360 183.4
[M+HCOO]- 409.213301 208.3
[M+CH3COO]- 423.228951 215.8
[M+Na-2H]- 385.189766 193.0
[M]+ 364.21455142 191.8
[M]- 364.21564858 191.8
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