CID 6479602

Chembl56701

Structural Information

Molecular Formula
C23H17ClN2O
SMILES
CC(=O)NC1=CC2=C(C=C1)C(=CC=C2)/C=C/C3=NC4=C(C=C3)C=C(C=C4)Cl
InChI
InChI=1S/C23H17ClN2O/c1-15(27)25-21-10-11-22-16(3-2-4-17(22)14-21)5-8-20-9-6-18-13-19(24)7-12-23(18)26-20/h2-14H,1H3,(H,25,27)/b8-5+
InChIKey
DXMUQWKOVWSCPA-VMPITWQZSA-N
Compound name
N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.10294 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11022 188.8
[M+Na]+ 395.09216 198.9
[M-H]- 371.09566 195.8
[M+NH4]+ 390.13676 202.1
[M+K]+ 411.06610 189.8
[M+H-H2O]+ 355.10020 179.1
[M+HCOO]- 417.10114 205.3
[M+CH3COO]- 431.11679 199.1
[M+Na-2H]- 393.07761 194.9
[M]+ 372.10239 192.6
[M]- 372.10349 192.6
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.