CID 6479607

Chembl55962

Structural Information

Molecular Formula
C28H19ClN2O
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=CC=C3)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4
InChI
InChI=1S/C28H19ClN2O/c29-23-12-9-20-11-14-24(30-27(20)18-23)13-10-19-7-4-8-22-17-25(15-16-26(19)22)31-28(32)21-5-2-1-3-6-21/h1-18H,(H,31,32)/b13-10+
InChIKey
AGHFPZUBXGYDHC-JLHYYAGUSA-N
Compound name
N-[5-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.1186 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12588 206.4
[M+Na]+ 457.10782 215.2
[M-H]- 433.11132 215.6
[M+NH4]+ 452.15242 216.2
[M+K]+ 473.08176 204.9
[M+H-H2O]+ 417.11586 194.4
[M+HCOO]- 479.11680 221.9
[M+CH3COO]- 493.13245 214.9
[M+Na-2H]- 455.09327 212.0
[M]+ 434.11805 208.9
[M]- 434.11915 208.9
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

No patent data available for this compound.