CID 219050

Roxindole

Structural Information

Molecular Formula
C23H26N2O
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)O
InChI
InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
InChIKey
HGEYJZMMUGWEOT-UHFFFAOYSA-N
Compound name
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

3245
Patents

346.2045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.211776 185.1
[M+Na]+ 369.193718 191.0
[M-H]- 345.197224 189.8
[M+NH4]+ 364.238323 196.5
[M+K]+ 385.167658 182.5
[M+H-H2O]+ 329.201760 174.7
[M+HCOO]- 391.202701 201.2
[M+CH3COO]- 405.218351 193.6
[M+Na-2H]- 367.179166 186.7
[M]+ 346.20395142 182.5
[M]- 346.20504858 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe