CID 15959188

Chembl377587

Structural Information

Molecular Formula
C25H20ClNO3
SMILES
CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H20ClNO3/c1-2-30-23(29)25-15-24(25,20-14-19(26)12-13-21(20)27-22(25)28)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,27,28)
InChIKey
ICNIQJRZECJZDR-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-2-oxo-7b-(4-phenylphenyl)-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.11316 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12044 199.2
[M+Na]+ 440.10238 209.6
[M-H]- 416.10588 207.7
[M+NH4]+ 435.14698 209.0
[M+K]+ 456.07632 203.0
[M+H-H2O]+ 400.11042 190.2
[M+HCOO]- 462.11136 210.2
[M+CH3COO]- 476.12701 207.9
[M+Na-2H]- 438.08783 203.4
[M]+ 417.11261 204.2
[M]- 417.11371 204.2
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.