CID 126714570

Rolusafine

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CCC1=CC=C(C=C1)OC2=C(C=CC=N2)C3=C(C=CN=C3)OC
InChI
InChI=1S/C19H18N2O2/c1-3-14-6-8-15(9-7-14)23-19-16(5-4-11-21-19)17-13-20-12-10-18(17)22-2/h4-13H,3H2,1-2H3
InChIKey
MSNOIIKZIMJCQU-UHFFFAOYSA-N
Compound name
2-(4-ethylphenoxy)-3-(4-methoxypyridin-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

306.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.5
[M+Na]+ 329.12606 191.2
[M+NH4]+ 324.17066 181.7
[M+K]+ 345.10000 181.8
[M-H]- 305.12956 179.9
[M+Na-2H]- 327.11151 185.5
[M]+ 306.13629 178.1
[M]- 306.13739 178.1
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

patents stripe