CID 503371

4-(cyclopentoxy)-3-propyl-6-(trifluoromethoxy)-1h-quinolin-2-one

Structural Information

Molecular Formula
C18H20F3NO3
SMILES
CCCC1=C(C2=C(C=CC(=C2)OC(F)(F)F)NC1=O)OC3CCCC3
InChI
InChI=1S/C18H20F3NO3/c1-2-5-13-16(24-11-6-3-4-7-11)14-10-12(25-18(19,20)21)8-9-15(14)22-17(13)23/h8-11H,2-7H2,1H3,(H,22,23)
InChIKey
ZJOOAGPWYXDLQL-UHFFFAOYSA-N
Compound name
4-cyclopentyloxy-3-propyl-6-(trifluoromethoxy)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

355.13953 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14681 181.1
[M+Na]+ 378.12875 189.0
[M-H]- 354.13225 182.1
[M+NH4]+ 373.17335 195.0
[M+K]+ 394.10269 183.3
[M+H-H2O]+ 338.13679 171.1
[M+HCOO]- 400.13773 194.8
[M+CH3COO]- 414.15338 210.2
[M+Na-2H]- 376.11420 181.3
[M]+ 355.13898 178.2
[M]- 355.14008 178.2
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

patents stripe