CID 15959206

Chembl379859

Structural Information

Molecular Formula
C19H23ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)N4CCCC4
InChI
InChI=1S/C19H23ClN2O2/c1-2-3-8-18-12-19(18,17(24)22-9-4-5-10-22)16(23)21-15-7-6-13(20)11-14(15)18/h6-7,11H,2-5,8-10,12H2,1H3,(H,21,23)
InChIKey
HIVMANFBNGNVTA-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-1a-(pyrrolidine-1-carbonyl)-1,3-dihydrocyclopropa[c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1448 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15208 186.2
[M+Na]+ 369.13402 195.4
[M-H]- 345.13752 190.0
[M+NH4]+ 364.17862 199.6
[M+K]+ 385.10796 188.5
[M+H-H2O]+ 329.14206 179.6
[M+HCOO]- 391.14300 194.0
[M+CH3COO]- 405.15865 194.7
[M+Na-2H]- 367.11947 187.0
[M]+ 346.14425 188.3
[M]- 346.14535 188.3
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.