CID 15959202

Chembl213550

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)CC4CC4
InChI
InChI=1S/C19H22ClNO2/c1-2-3-8-18-11-19(18,16(22)9-12-4-5-12)17(23)21-15-7-6-13(20)10-14(15)18/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,23)
InChIKey
GLRSTYUPPYHLCG-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-1a-(2-cyclopropylacetyl)-1,3-dihydrocyclopropa[c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 186.2
[M+Na]+ 354.12312 193.9
[M-H]- 330.12662 190.8
[M+NH4]+ 349.16772 193.3
[M+K]+ 370.09706 189.9
[M+H-H2O]+ 314.13116 181.4
[M+HCOO]- 376.13210 193.8
[M+CH3COO]- 390.14775 193.1
[M+Na-2H]- 352.10857 187.3
[M]+ 331.13335 191.9
[M]- 331.13445 191.9
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.