CID 15959216

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

Structural Information

Molecular Formula
C15H18ClNO2
SMILES
CCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)COC
InChI
InChI=1S/C15H18ClNO2/c1-3-6-14-8-15(14,9-19-2)13(18)17-12-5-4-10(16)7-11(12)14/h4-5,7H,3,6,8-9H2,1-2H3,(H,17,18)
InChIKey
NSHRNLNRDWTKLI-UHFFFAOYSA-N
Compound name
6-chloro-1a-(methoxymethyl)-7b-propyl-1,3-dihydrocyclopropa[c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.1026 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10988 165.8
[M+Na]+ 302.09182 177.4
[M-H]- 278.09532 169.0
[M+NH4]+ 297.13642 182.1
[M+K]+ 318.06576 171.8
[M+H-H2O]+ 262.09986 160.7
[M+HCOO]- 324.10080 177.8
[M+CH3COO]- 338.11645 199.9
[M+Na-2H]- 300.07727 172.4
[M]+ 279.10205 172.0
[M]- 279.10315 172.0
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.