CID 503396

Gw 771x

Structural Information

Molecular Formula
C18H18FNO
SMILES
CCCC1=C(C2=C(C=CC(=C2)F)NC1=O)CC#CC3CC3
InChI
InChI=1S/C18H18FNO/c1-2-4-15-14(6-3-5-12-7-8-12)16-11-13(19)9-10-17(16)20-18(15)21/h9-12H,2,4,6-8H2,1H3,(H,20,21)
InChIKey
MAYBBWNMDINFML-UHFFFAOYSA-N
Compound name
4-(3-cyclopropylprop-2-ynyl)-6-fluoro-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13724 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14452 162.0
[M+Na]+ 306.12646 179.0
[M-H]- 282.12996 166.0
[M+NH4]+ 301.17106 173.2
[M+K]+ 322.10040 166.6
[M+H-H2O]+ 266.13450 150.5
[M+HCOO]- 328.13544 177.0
[M+CH3COO]- 342.15109 172.8
[M+Na-2H]- 304.11191 165.8
[M]+ 283.13669 160.0
[M]- 283.13779 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.