CID 78319091

Methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1h-indol-6-yl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C15H10ClF2N3O2
SMILES
COC(=O)C1=C(C(=C(C(=N1)C2=C(C3=C(C=C2)C=CN3)F)F)N)Cl
InChI
InChI=1S/C15H10ClF2N3O2/c1-23-15(22)14-8(16)11(19)10(18)13(21-14)7-3-2-6-4-5-20-12(6)9(7)17/h2-5,20H,1H3,(H2,19,21)
InChIKey
RTAXDHMFSZODHZ-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

597
Patents

337.04297 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05025 171.9
[M+Na]+ 360.03219 185.3
[M-H]- 336.03569 174.4
[M+NH4]+ 355.07679 186.3
[M+K]+ 376.00613 177.5
[M+H-H2O]+ 320.04023 162.9
[M+HCOO]- 382.04117 187.0
[M+CH3COO]- 396.05682 183.3
[M+Na-2H]- 358.01764 172.7
[M]+ 337.04242 174.0
[M]- 337.04352 174.0
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