CID 15959218

1a-(allyloxymethyl)-6-chloro-7b-propyl-1,3-dihydrocyclopropa[c]quinolin-2-one

Structural Information

Molecular Formula
C17H20ClNO2
SMILES
CCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)COCC=C
InChI
InChI=1S/C17H20ClNO2/c1-3-7-16-10-17(16,11-21-8-4-2)15(20)19-14-6-5-12(18)9-13(14)16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,19,20)
InChIKey
SOEHFUWVMKEWRH-UHFFFAOYSA-N
Compound name
6-chloro-1a-(prop-2-enoxymethyl)-7b-propyl-1,3-dihydrocyclopropa[c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.11826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12554 173.3
[M+Na]+ 328.10748 184.3
[M-H]- 304.11098 176.2
[M+NH4]+ 323.15208 188.5
[M+K]+ 344.08142 177.7
[M+H-H2O]+ 288.11552 167.9
[M+HCOO]- 350.11646 184.8
[M+CH3COO]- 364.13211 204.8
[M+Na-2H]- 326.09293 178.9
[M]+ 305.11771 179.5
[M]- 305.11881 179.5
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.