CID 3072526

142934-88-1

Structural Information

Molecular Formula
C12H19ClFN3O2
SMILES
CNC1=C(C=C(C(=N1)Cl)C(COCCN(C)C)O)F
InChI
InChI=1S/C12H19ClFN3O2/c1-15-12-9(14)6-8(11(13)16-12)10(18)7-19-5-4-17(2)3/h6,10,18H,4-5,7H2,1-3H3,(H,15,16)
InChIKey
HKAUCTKNZYHFFN-UHFFFAOYSA-N
Compound name
1-[2-chloro-5-fluoro-6-(methylamino)pyridin-3-yl]-2-[2-(dimethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.115 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12228 164.8
[M+Na]+ 314.10422 172.0
[M-H]- 290.10772 165.8
[M+NH4]+ 309.14882 179.7
[M+K]+ 330.07816 168.9
[M+H-H2O]+ 274.11226 157.1
[M+HCOO]- 336.11320 181.9
[M+CH3COO]- 350.12885 208.6
[M+Na-2H]- 312.08967 166.4
[M]+ 291.11445 168.5
[M]- 291.11555 168.5
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.