CID 453051

133671-46-2

Structural Information

Molecular Formula
C19H20FN3
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H20FN3/c1-23(2)12-11-21-19-13-18(14-7-9-15(20)10-8-14)22-17-6-4-3-5-16(17)19/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKey
WUUSWESBGKCYHF-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.16412 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17140 173.2
[M+Na]+ 332.15334 180.2
[M-H]- 308.15684 179.2
[M+NH4]+ 327.19794 187.6
[M+K]+ 348.12728 174.9
[M+H-H2O]+ 292.16138 162.3
[M+HCOO]- 354.16232 195.7
[M+CH3COO]- 368.17797 183.9
[M+Na-2H]- 330.13879 179.1
[M]+ 309.16357 173.1
[M]- 309.16467 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.