CID 9796735

Chembl554816

Structural Information

Molecular Formula
C19H19ClN2
SMILES
CCCN=C1C=CN(C2=C1C=CC(=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C19H19ClN2/c1-2-11-21-18-10-12-22(14-15-6-4-3-5-7-15)19-13-16(20)8-9-17(18)19/h3-10,12-13H,2,11,14H2,1H3
InChIKey
WVZFFIZCUQZVND-UHFFFAOYSA-N
Compound name
1-benzyl-7-chloro-N-propylquinolin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

310.1237 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13098 173.3
[M+Na]+ 333.11292 182.6
[M-H]- 309.11642 180.3
[M+NH4]+ 328.15752 189.1
[M+K]+ 349.08686 175.1
[M+H-H2O]+ 293.12096 164.1
[M+HCOO]- 355.12190 192.3
[M+CH3COO]- 369.13755 184.9
[M+Na-2H]- 331.09837 179.7
[M]+ 310.12315 176.9
[M]- 310.12425 176.9
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

patents stripe