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]+ 381.21728 192.3
[M+Na]+ 403.19922 196.8
[M-H]- 379.20272 195.8
[M+NH4]+ 398.24382 201.6
[M+K]+ 419.17316 189.9
[M+H-H2O]+ 363.20726 182.4
[M+HCOO]- 425.20820 204.8
[M+CH3COO]- 439.22385 199.5
[M+Na-2H]- 401.18467 191.0
[M]+ 380.20945 189.2
[M]- 380.21055 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.