CID 15959195

Chembl377020

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OC4=CC=CC=C4
InChI
InChI=1S/C21H20ClNO3/c1-2-3-11-20-13-21(20,19(25)26-15-7-5-4-6-8-15)18(24)23-17-10-9-14(22)12-16(17)20/h4-10,12H,2-3,11,13H2,1H3,(H,23,24)
InChIKey
VIDRLXIQSOUTDO-UHFFFAOYSA-N
Compound name
phenyl 7b-butyl-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

369.11316 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12044 187.7
[M+Na]+ 392.10238 197.9
[M-H]- 368.10588 193.3
[M+NH4]+ 387.14698 199.8
[M+K]+ 408.07632 191.7
[M+H-H2O]+ 352.11042 180.6
[M+HCOO]- 414.11136 198.6
[M+CH3COO]- 428.12701 197.0
[M+Na-2H]- 390.08783 192.5
[M]+ 369.11261 193.6
[M]- 369.11371 193.6
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.