CID 68892

Mindodilol

Structural Information

Molecular Formula
C23H28N2O3
SMILES
C1CN(CCC1COC2=CC=CC=C2)CC(COC3=CC=CC4=C3C=CN4)O
InChI
InChI=1S/C23H28N2O3/c26-19(17-28-23-8-4-7-22-21(23)9-12-24-22)15-25-13-10-18(11-14-25)16-27-20-5-2-1-3-6-20/h1-9,12,18-19,24,26H,10-11,13-17H2
InChIKey
ARFNSMYWLYZEPU-UHFFFAOYSA-N
Compound name
1-(1H-indol-4-yloxy)-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

132
Patents

380.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 190.8
[M+Na]+ 403.19922 193.9
[M-H]- 379.20272 194.8
[M+NH4]+ 398.24382 200.1
[M+K]+ 419.17316 187.6
[M+H-H2O]+ 363.20726 180.0
[M+HCOO]- 425.20820 204.8
[M+CH3COO]- 439.22385 197.9
[M+Na-2H]- 401.18467 191.3
[M]+ 380.20945 188.5
[M]- 380.21055 188.5
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.