CID 420903

1-(4-fluorobenzyl)-1lambda(5)-quinoline-3-carboxamide

Structural Information

Molecular Formula
C17H14FN2O
SMILES
C1=CC=C2C(=C1)C=C(C=[N+]2CC3=CC=C(C=C3)F)C(=O)N
InChI
InChI=1S/C17H13FN2O/c18-15-7-5-12(6-8-15)10-20-11-14(17(19)21)9-13-3-1-2-4-16(13)20/h1-9,11H,10H2,(H-,19,21)/p+1
InChIKey
WQAJOXUPKDJJPE-UHFFFAOYSA-O
Compound name
1-[(4-fluorophenyl)methyl]quinolin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.109 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11628 165.7
[M+Na]+ 304.09822 173.9
[M-H]- 280.10172 170.6
[M+NH4]+ 299.14282 180.2
[M+K]+ 320.07216 162.5
[M+H-H2O]+ 264.10626 158.6
[M+HCOO]- 326.10720 185.7
[M+CH3COO]- 340.12285 196.9
[M+Na-2H]- 302.08367 172.9
[M]+ 281.10845 162.4
[M]- 281.10955 162.4
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.