CID 63376981

1406149-44-7

Structural Information

Molecular Formula
C13H12ClNO4
SMILES
COC1=C(C=C2C(=C1)C(=CC(=N2)C(=O)OC)Cl)OC
InChI
InChI=1S/C13H12ClNO4/c1-17-11-4-7-8(14)5-10(13(16)19-3)15-9(7)6-12(11)18-2/h4-6H,1-3H3
InChIKey
ZDLLJVUVWKJFKA-UHFFFAOYSA-N
Compound name
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04547 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05275 156.7
[M+Na]+ 304.03469 168.0
[M-H]- 280.03819 160.7
[M+NH4]+ 299.07929 174.0
[M+K]+ 320.00863 164.8
[M+H-H2O]+ 264.04273 150.4
[M+HCOO]- 326.04367 174.0
[M+CH3COO]- 340.05932 199.5
[M+Na-2H]- 302.02014 161.8
[M]+ 281.04492 165.4
[M]- 281.04602 165.4
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

No patent data available for this compound.