CID 6479599

Chembl292678

Structural Information

Molecular Formula
C21H15ClN2
SMILES
C1=CC2=C(C=CC(=C2)N)C(=C1)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3
InChI
InChI=1S/C21H15ClN2/c22-17-7-4-15-6-10-19(24-21(15)13-17)9-5-14-2-1-3-16-12-18(23)8-11-20(14)16/h1-13H,23H2/b9-5+
InChIKey
ANTUWCOLVIVCSL-WEVVVXLNSA-N
Compound name
5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.09238 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09966 177.9
[M+Na]+ 353.08160 189.2
[M-H]- 329.08510 184.7
[M+NH4]+ 348.12620 193.0
[M+K]+ 369.05554 179.5
[M+H-H2O]+ 313.08964 168.7
[M+HCOO]- 375.09058 195.2
[M+CH3COO]- 389.10623 189.1
[M+Na-2H]- 351.06705 185.2
[M]+ 330.09183 180.1
[M]- 330.09293 180.1
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.