CID 503395

Gw 349x

Structural Information

Molecular Formula
C17H16ClNO2
SMILES
CC(C)C1=C(C2=C(C=CC(=C2)Cl)NC1=O)OC#CC3CC3
InChI
InChI=1S/C17H16ClNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)
InChIKey
APGVKHJQRYWIDP-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-cyclopropylethynoxy)-3-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

301.08694 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09422 164.0
[M+Na]+ 324.07616 181.6
[M-H]- 300.07966 169.1
[M+NH4]+ 319.12076 175.3
[M+K]+ 340.05010 169.3
[M+H-H2O]+ 284.08420 154.3
[M+HCOO]- 346.08514 175.5
[M+CH3COO]- 360.10079 175.1
[M+Na-2H]- 322.06161 167.4
[M]+ 301.08639 165.2
[M]- 301.08749 165.2
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