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

4
Patents

364.2151 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 191.4
[M+Na]+ 387.20432 196.2
[M-H]- 363.20782 194.9
[M+NH4]+ 382.24892 203.5
[M+K]+ 403.17826 190.1
[M+H-H2O]+ 347.21236 183.4
[M+HCOO]- 409.21330 208.3
[M+CH3COO]- 423.22895 215.8
[M+Na-2H]- 385.18977 193.0
[M]+ 364.21455 191.8
[M]- 364.21565 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