CID 29636

Cyproquinate

Structural Information

Molecular Formula
C20H23NO5
SMILES
CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)OCC3CC3)OCC4CC4
InChI
InChI=1S/C20H23NO5/c1-2-24-20(23)15-9-21-16-8-18(26-11-13-5-6-13)17(7-14(16)19(15)22)25-10-12-3-4-12/h7-9,12-13H,2-6,10-11H2,1H3,(H,21,22)
InChIKey
JBCLGHRMQCEPFM-UHFFFAOYSA-N
Compound name
ethyl 6,7-bis(cyclopropylmethoxy)-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

357.15762 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16490 190.5
[M+Na]+ 380.14684 197.7
[M-H]- 356.15034 197.6
[M+NH4]+ 375.19144 192.1
[M+K]+ 396.12078 192.8
[M+H-H2O]+ 340.15488 183.1
[M+HCOO]- 402.15582 206.4
[M+CH3COO]- 416.17147 220.1
[M+Na-2H]- 378.13229 190.1
[M]+ 357.15707 198.1
[M]- 357.15817 198.1
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