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]+ 381.25365 196.7
[M+Na]+ 403.23559 201.0
[M-H]- 379.23909 199.7
[M+NH4]+ 398.28019 208.3
[M+K]+ 419.20953 194.6
[M+H-H2O]+ 363.24363 188.1
[M+HCOO]- 425.24457 214.0
[M+CH3COO]- 439.26022 218.6
[M+Na-2H]- 401.22104 198.8
[M]+ 380.24582 198.6
[M]- 380.24692 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