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

literature stripe

Patent stripe

patents stripe