CID 10758239

112811-71-9

Structural Information

Molecular Formula
C16H15F2NO4
SMILES
CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)OC)C3CC3
InChI
InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
InChIKey
XPAOPAPDCRLMTR-UHFFFAOYSA-N
Compound name
ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

190
Patents

323.09692 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10420 170.8
[M+Na]+ 346.08614 183.5
[M-H]- 322.08964 176.1
[M+NH4]+ 341.13074 180.8
[M+K]+ 362.06008 178.0
[M+H-H2O]+ 306.09418 161.2
[M+HCOO]- 368.09512 189.6
[M+CH3COO]- 382.11077 212.5
[M+Na-2H]- 344.07159 172.1
[M]+ 323.09637 177.1
[M]- 323.09747 177.1
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