CID 86296847

Schembl16047046

Structural Information

Molecular Formula
C18H15FN2O2
SMILES
C1=CC(=CC(=C1)F)COC2=CC3=NC=C(C=C3C=C2)CC(=O)N
InChI
InChI=1S/C18H15FN2O2/c19-15-3-1-2-12(7-15)11-23-16-5-4-14-6-13(8-18(20)22)10-21-17(14)9-16/h1-7,9-10H,8,11H2,(H2,20,22)
InChIKey
IQAIJJPLYRFTKU-UHFFFAOYSA-N
Compound name
2-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

310.11176 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11904 171.2
[M+Na]+ 333.10098 179.2
[M-H]- 309.10448 175.7
[M+NH4]+ 328.14558 184.7
[M+K]+ 349.07492 173.6
[M+H-H2O]+ 293.10902 160.9
[M+HCOO]- 355.10996 191.5
[M+CH3COO]- 369.12561 208.9
[M+Na-2H]- 331.08643 175.8
[M]+ 310.11121 170.8
[M]- 310.11231 170.8
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