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

12
Patents

305.08188 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08916 168.0
[M+Na]+ 328.07110 180.6
[M-H]- 304.07460 175.3
[M+NH4]+ 323.11570 179.6
[M+K]+ 344.04504 174.2
[M+H-H2O]+ 288.07914 161.0
[M+HCOO]- 350.08008 184.4
[M+CH3COO]- 364.09573 207.6
[M+Na-2H]- 326.05655 170.6
[M]+ 305.08133 176.5
[M]- 305.08243 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