CID 3069700

3-(2-hydroxy-3-((2-(1h-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C20H25N3O3S
SMILES
CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=C(SC=C3)C(=O)N)O
InChI
InChI=1S/C20H25N3O3S/c1-20(2,9-13-10-22-16-6-4-3-5-15(13)16)23-11-14(24)12-26-17-7-8-27-18(17)19(21)25/h3-8,10,14,22-24H,9,11-12H2,1-2H3,(H2,21,25)
InChIKey
WNGWOPBTFNKVEO-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.16165 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16893 191.1
[M+Na]+ 410.15087 197.9
[M+NH4]+ 405.19547 196.4
[M+K]+ 426.12481 195.6
[M-H]- 386.15437 192.4
[M+Na-2H]- 408.13632 194.3
[M]+ 387.16110 192.4
[M]- 387.16220 192.4
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

No patent data available for this compound.