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-methoxy-3-pyridinyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

306.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.144116 173.2
[M+Na]+ 329.126058 181.5
[M-H]- 305.129564 180.3
[M+NH4]+ 324.170663 184.9
[M+K]+ 345.099998 176.3
[M+H-H2O]+ 289.134100 162.1
[M+HCOO]- 351.135041 194.7
[M+CH3COO]- 365.150691 184.3
[M+Na-2H]- 327.111506 178.8
[M]+ 306.13629142 176.0
[M]- 306.13738858 176.0
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