CID 11971039

Brn 4539900

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CN4CCCCC4)O
InChI
InChI=1S/C23H28N2O2/c1-17-21-7-3-4-8-22(21)24-23(17)18-9-11-20(12-10-18)27-16-19(26)15-25-13-5-2-6-14-25/h3-4,7-12,19,24,26H,2,5-6,13-16H2,1H3
InChIKey
UNJZUJBYGAISBR-UHFFFAOYSA-N
Compound name
1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 191.3
[M+Na]+ 387.20432 204.7
[M+NH4]+ 382.24892 198.8
[M+K]+ 403.17826 198.1
[M-H]- 363.20782 196.1
[M+Na-2H]- 385.18977 198.3
[M]+ 364.21455 194.5
[M]- 364.21565 194.5
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.