CID 15959207

Chembl210064

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)N(C)CC
InChI
InChI=1S/C18H23ClN2O2/c1-4-6-9-17-11-18(17,16(23)21(3)5-2)15(22)20-14-8-7-12(19)10-13(14)17/h7-8,10H,4-6,9,11H2,1-3H3,(H,20,22)
InChIKey
ORJLIOXADAPXQD-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-N-ethyl-N-methyl-2-oxo-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15208 179.2
[M+Na]+ 357.13402 188.9
[M-H]- 333.13752 183.2
[M+NH4]+ 352.17862 193.6
[M+K]+ 373.10796 183.7
[M+H-H2O]+ 317.14206 174.2
[M+HCOO]- 379.14300 191.0
[M+CH3COO]- 393.15865 215.7
[M+Na-2H]- 355.11947 183.3
[M]+ 334.14425 185.8
[M]- 334.14535 185.8
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.