CID 11971040

Brn 4552186

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CN4CCCC(C4)O)O
InChI
InChI=1S/C23H28N2O3/c1-16-21-6-2-3-7-22(21)24-23(16)17-8-10-20(11-9-17)28-15-19(27)14-25-12-4-5-18(26)13-25/h2-3,6-11,18-19,24,26-27H,4-5,12-15H2,1H3
InChIKey
YNWJBJOLFHUNIG-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-[4-(3-methyl-1H-indol-2-yl)phenoxy]propyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 192.3
[M+Na]+ 403.199218 196.8
[M-H]- 379.202724 195.8
[M+NH4]+ 398.243823 201.6
[M+K]+ 419.173158 189.9
[M+H-H2O]+ 363.207260 182.4
[M+HCOO]- 425.208201 204.8
[M+CH3COO]- 439.223851 199.5
[M+Na-2H]- 401.184666 191.0
[M]+ 380.20945142 189.2
[M]- 380.21054858 189.2
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.