CID 91936858

1707147-26-9

Structural Information

Molecular Formula
C18H18FN3O2
SMILES
CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OC[C@@H](CF)O
InChI
InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKey
DLVXFZWSPCOWSN-CQSZACIVSA-N
Compound name
(2S)-1-fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

68
References

111
Patents

327.1383 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.145576 175.9
[M+Na]+ 350.127518 183.1
[M-H]- 326.131024 178.1
[M+NH4]+ 345.172123 187.0
[M+K]+ 366.101458 177.4
[M+H-H2O]+ 310.135560 165.0
[M+HCOO]- 372.136501 193.8
[M+CH3COO]- 386.152151 210.6
[M+Na-2H]- 348.112966 181.3
[M]+ 327.13775142 175.9
[M]- 327.13884858 175.9
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