CID 3066297

1-(2-(3-(1,1-dimethylethylamino)-2-hydroxypropoxy)phenyl)-3-(1h-indol-4-yl)-1-propanone

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C24H30N2O3/c1-24(2,3)26-15-18(27)16-29-23-10-5-4-8-20(23)22(28)12-11-17-7-6-9-21-19(17)13-14-25-21/h4-10,13-14,18,25-27H,11-12,15-16H2,1-3H3
InChIKey
UWPLIZCLRBHFQA-UHFFFAOYSA-N
Compound name
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

394.22565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 198.7
[M+Na]+ 417.21487 202.7
[M-H]- 393.21837 201.9
[M+NH4]+ 412.25947 209.4
[M+K]+ 433.18881 197.2
[M+H-H2O]+ 377.22291 190.2
[M+HCOO]- 439.22385 215.4
[M+CH3COO]- 453.23950 220.9
[M+Na-2H]- 415.20032 200.0
[M]+ 394.22510 200.8
[M]- 394.22620 200.8
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