CID 3013149

Chembl427336

Structural Information

Molecular Formula
C18H23NO3
SMILES
CCCC1=C(C2=C(C=C(C=C2)OC)NC1=O)OCC3CCC3
InChI
InChI=1S/C18H23NO3/c1-3-5-15-17(22-11-12-6-4-7-12)14-9-8-13(21-2)10-16(14)19-18(15)20/h8-10,12H,3-7,11H2,1-2H3,(H,19,20)
InChIKey
VXOCVQVPNCFXQZ-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethoxy)-7-methoxy-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 168.5
[M+Na]+ 324.15702 174.9
[M-H]- 300.16052 172.9
[M+NH4]+ 319.20162 176.6
[M+K]+ 340.13096 173.6
[M+H-H2O]+ 284.16506 155.0
[M+HCOO]- 346.16600 186.0
[M+CH3COO]- 360.18165 206.9
[M+Na-2H]- 322.14247 171.4
[M]+ 301.16725 179.6
[M]- 301.16835 179.6
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

No patent data available for this compound.