CID 15959201

Chembl277505

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NC(C)C
InChI
InChI=1S/C18H23ClN2O2/c1-4-5-8-17-10-18(17,15(22)20-11(2)3)16(23)21-14-7-6-12(19)9-13(14)17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKey
SDMBZJATDBGDMX-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-2-oxo-N-propan-2-yl-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.1448 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15208 178.0
[M+Na]+ 357.13402 187.3
[M-H]- 333.13752 180.7
[M+NH4]+ 352.17862 191.7
[M+K]+ 373.10796 181.3
[M+H-H2O]+ 317.14206 173.4
[M+HCOO]- 379.14300 188.4
[M+CH3COO]- 393.15865 213.4
[M+Na-2H]- 355.11947 181.8
[M]+ 334.14425 183.0
[M]- 334.14535 183.0
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.