CID 3071289

5-(3-cyclohexylamino-2-hydroxypropoxy)-7-methoxypyrido(3,4-b)indole

Structural Information

Molecular Formula
C21H27N3O3
SMILES
COC1=CC2=C(C=C1)NC3=CN=CC(=C23)OCC(CNC4CCCCC4)O
InChI
InChI=1S/C21H27N3O3/c1-26-16-7-8-18-17(9-16)21-19(24-18)11-22-12-20(21)27-13-15(25)10-23-14-5-3-2-4-6-14/h7-9,11-12,14-15,23-25H,2-6,10,13H2,1H3
InChIKey
PVFKJYVCUPODFH-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-[(6-methoxy-9H-pyrido[3,4-b]indol-4-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.20523 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 185.2
[M+Na]+ 392.19445 189.3
[M-H]- 368.19795 187.5
[M+NH4]+ 387.23905 196.4
[M+K]+ 408.16839 183.6
[M+H-H2O]+ 352.20249 175.6
[M+HCOO]- 414.20343 199.4
[M+CH3COO]- 428.21908 192.8
[M+Na-2H]- 390.17990 187.8
[M]+ 369.20468 183.7
[M]- 369.20578 183.7
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.