CID 15959205

Chembl425253

Structural Information

Molecular Formula
C18H21ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)N4CCC4
InChI
InChI=1S/C18H21ClN2O2/c1-2-3-7-17-11-18(17,16(23)21-8-4-9-21)15(22)20-14-6-5-12(19)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3,(H,20,22)
InChIKey
MIOUYHFXUXWNHJ-UHFFFAOYSA-N
Compound name
1a-(azetidine-1-carbonyl)-7b-butyl-6-chloro-1,3-dihydrocyclopropa[c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.12915 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13643 181.4
[M+Na]+ 355.11837 190.3
[M-H]- 331.12187 185.2
[M+NH4]+ 350.16297 188.0
[M+K]+ 371.09231 186.8
[M+H-H2O]+ 315.12641 170.5
[M+HCOO]- 377.12735 189.1
[M+CH3COO]- 391.14300 211.2
[M+Na-2H]- 353.10382 184.5
[M]+ 332.12860 192.9
[M]- 332.12970 192.9
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.