CID 3066303

109920-83-4

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1CCCC2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C24H32N2O2/c1-24(2,3)26-16-20(27)17-28-23-13-5-4-8-19(23)11-6-9-18-10-7-12-22-21(18)14-15-25-22/h4-5,7-8,10,12-15,20,25-27H,6,9,11,16-17H2,1-3H3
InChIKey
NDWKYUROASQZKA-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-[3-(1H-indol-4-yl)propyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

380.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 196.7
[M+Na]+ 403.235588 201.0
[M-H]- 379.239094 199.7
[M+NH4]+ 398.280193 208.3
[M+K]+ 419.209528 194.6
[M+H-H2O]+ 363.243630 188.1
[M+HCOO]- 425.244571 214.0
[M+CH3COO]- 439.260221 218.6
[M+Na-2H]- 401.221036 198.8
[M]+ 380.24582142 198.6
[M]- 380.24691858 198.6
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