CID 15959181

Chembl210449

Structural Information

Molecular Formula
C16H18ClNO3
SMILES
CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)C(C)C
InChI
InChI=1S/C16H18ClNO3/c1-4-21-14(20)16-8-15(16,9(2)3)11-7-10(17)5-6-12(11)18-13(16)19/h5-7,9H,4,8H2,1-3H3,(H,18,19)
InChIKey
HLTIHTMBDNNDJR-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-2-oxo-7b-propan-2-yl-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.09753 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10481 170.5
[M+Na]+ 330.08675 181.4
[M-H]- 306.09025 173.8
[M+NH4]+ 325.13135 185.6
[M+K]+ 346.06069 176.4
[M+H-H2O]+ 290.09479 166.2
[M+HCOO]- 352.09573 180.6
[M+CH3COO]- 366.11138 205.0
[M+Na-2H]- 328.07220 174.8
[M]+ 307.09698 176.8
[M]- 307.09808 176.8
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.