CID 13657418

103877-51-6

Structural Information

Molecular Formula
C16H16ClNO3
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)Cl)C3CC3
InChI
InChI=1S/C16H16ClNO3/c1-3-21-16(20)12-8-18(10-4-5-10)14-9(2)13(17)7-6-11(14)15(12)19/h6-8,10H,3-5H2,1-2H3
InChIKey
MUQYAFBHOLSOCY-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

305.08188 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.089156 168.0
[M+Na]+ 328.071098 180.6
[M-H]- 304.074604 175.3
[M+NH4]+ 323.115703 179.6
[M+K]+ 344.045038 174.2
[M+H-H2O]+ 288.079140 161.0
[M+HCOO]- 350.080081 184.4
[M+CH3COO]- 364.095731 207.6
[M+Na-2H]- 326.056546 170.6
[M]+ 305.08133142 176.5
[M]- 305.08242858 176.5
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

patents stripe