CID 503370

Gw 855x

Structural Information

Molecular Formula
C18H23NO3
SMILES
CCCC1=C(C2=C(C=CC(=C2)OC)NC1=O)OC3CCCC3
InChI
InChI=1S/C18H23NO3/c1-3-6-14-17(22-12-7-4-5-8-12)15-11-13(21-2)9-10-16(15)19-18(14)20/h9-12H,3-8H2,1-2H3,(H,19,20)
InChIKey
ZJWNDBMQTIOPRT-UHFFFAOYSA-N
Compound name
4-cyclopentyloxy-6-methoxy-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

301.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.1
[M+Na]+ 324.15702 178.4
[M-H]- 300.16052 175.9
[M+NH4]+ 319.20162 187.2
[M+K]+ 340.13096 173.5
[M+H-H2O]+ 284.16506 163.3
[M+HCOO]- 346.16600 189.7
[M+CH3COO]- 360.18165 202.4
[M+Na-2H]- 322.14247 172.1
[M]+ 301.16725 172.0
[M]- 301.16835 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.