CID 20115287

4-fluoro-n-(1,2,3,4-tetrahydroquinolin-5-yl)benzamide

Structural Information

Molecular Formula
C16H15FN2O
SMILES
C1CC2=C(C=CC=C2NC(=O)C3=CC=C(C=C3)F)NC1
InChI
InChI=1S/C16H15FN2O/c17-12-8-6-11(7-9-12)16(20)19-15-5-1-4-14-13(15)3-2-10-18-14/h1,4-9,18H,2-3,10H2,(H,19,20)
InChIKey
GGSFYRLTOCKRLN-UHFFFAOYSA-N
Compound name
4-fluoro-N-(1,2,3,4-tetrahydroquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11685 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12413 159.9
[M+Na]+ 293.10607 165.7
[M-H]- 269.10957 162.8
[M+NH4]+ 288.15067 174.4
[M+K]+ 309.08001 159.8
[M+H-H2O]+ 253.11411 150.5
[M+HCOO]- 315.11505 177.1
[M+CH3COO]- 329.13070 169.8
[M+Na-2H]- 291.09152 165.0
[M]+ 270.11630 153.3
[M]- 270.11740 153.3
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.