CID 15959183

Chembl211825

Structural Information

Molecular Formula
C20H18ClNO3
SMILES
CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)CC4=CC=CC=C4
InChI
InChI=1S/C20H18ClNO3/c1-2-25-18(24)20-12-19(20,11-13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)22-17(20)23/h3-10H,2,11-12H2,1H3,(H,22,23)
InChIKey
TWBYZAQKOBNUBW-UHFFFAOYSA-N
Compound name
ethyl 7b-benzyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.09753 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10481 183.6
[M+Na]+ 378.08675 194.3
[M-H]- 354.09025 189.5
[M+NH4]+ 373.13135 196.3
[M+K]+ 394.06069 188.2
[M+H-H2O]+ 338.09479 176.7
[M+HCOO]- 400.09573 194.9
[M+CH3COO]- 414.11138 193.3
[M+Na-2H]- 376.07220 188.9
[M]+ 355.09698 189.2
[M]- 355.09808 189.2
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.