CID 3075191

2h-pyrano(3,2-c)quinoline-3-carboxylic acid, 5-(dimethylamino)-2-oxo-, methyl ester

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CN(C)C1=NC2=CC=CC=C2C3=C1C=C(C(=O)O3)C(=O)OC
InChI
InChI=1S/C16H14N2O4/c1-18(2)14-10-8-11(15(19)21-3)16(20)22-13(10)9-6-4-5-7-12(9)17-14/h4-8H,1-3H3
InChIKey
JIRNTCGHQPSWLJ-UHFFFAOYSA-N
Compound name
methyl 5-(dimethylamino)-2-oxopyrano[3,2-c]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 164.4
[M+Na]+ 321.08459 180.2
[M+NH4]+ 316.12919 172.0
[M+K]+ 337.05853 174.1
[M-H]- 297.08809 168.8
[M+Na-2H]- 319.07004 170.9
[M]+ 298.09482 168.0
[M]- 298.09592 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.