CID 3077194

Alpha-(2-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)-1h-indol-4-methanol benzoate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC(C)(C)NCCCOC1=CC=CC=C1C(C2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C22H28N2O2/c1-22(2,3)24-13-7-15-26-20-11-5-4-8-18(20)21(25)17-9-6-10-19-16(17)12-14-23-19/h4-6,8-12,14,21,23-25H,7,13,15H2,1-3H3
InChIKey
LRTCXGZIIBXHOW-UHFFFAOYSA-N
Compound name
[2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

352.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.7
[M+Na]+ 375.20432 193.0
[M-H]- 351.20782 191.2
[M+NH4]+ 370.24892 200.5
[M+K]+ 391.17826 187.0
[M+H-H2O]+ 335.21236 179.5
[M+HCOO]- 397.21330 205.8
[M+CH3COO]- 411.22895 212.8
[M+Na-2H]- 373.18977 190.9
[M]+ 352.21455 189.1
[M]- 352.21565 189.1
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