CID 6479603

Chembl59252

Structural Information

Molecular Formula
C28H19ClN2O2
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC3=C(C=C2)C(=CC=C3)/C=C/C4=NC5=C(C=C4)C=C(C=C5)Cl
InChI
InChI=1S/C28H19ClN2O2/c29-22-11-16-27-21(17-22)10-13-23(30-27)12-9-19-5-4-6-20-18-24(14-15-26(19)20)31-28(32)33-25-7-2-1-3-8-25/h1-18H,(H,31,32)/b12-9+
InChIKey
AAVILCDUPZKHQQ-FMIVXFBMSA-N
Compound name
phenyl N-[5-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]naphthalen-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.1135 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.12078 209.4
[M+Na]+ 473.10272 218.0
[M-H]- 449.10622 218.7
[M+NH4]+ 468.14732 218.5
[M+K]+ 489.07666 208.6
[M+H-H2O]+ 433.11076 197.2
[M+HCOO]- 495.11170 225.1
[M+CH3COO]- 509.12735 217.8
[M+Na-2H]- 471.08817 215.1
[M]+ 450.11295 213.2
[M]- 450.11405 213.2
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.