CID 462462

N-[(4-fluorophenyl)methyl]quinolin-3-amine

Structural Information

Molecular Formula
C16H13FN2
SMILES
C1=CC=C2C(=C1)C=C(C=N2)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FN2/c17-14-7-5-12(6-8-14)10-18-15-9-13-3-1-2-4-16(13)19-11-15/h1-9,11,18H,10H2
InChIKey
RKJNBXDNHHQVAK-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10628 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11356 154.9
[M+Na]+ 275.09550 163.2
[M-H]- 251.09900 159.7
[M+NH4]+ 270.14010 171.1
[M+K]+ 291.06944 157.1
[M+H-H2O]+ 235.10354 145.1
[M+HCOO]- 297.10448 177.0
[M+CH3COO]- 311.12013 166.7
[M+Na-2H]- 273.08095 163.5
[M]+ 252.10573 152.9
[M]- 252.10683 152.9
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

No patent data available for this compound.