CID 71448

Minocromil

Structural Information

Molecular Formula
C18H16N2O6
SMILES
CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=CC(=N2)C(=O)O)NC
InChI
InChI=1S/C18H16N2O6/c1-3-4-8-15-9(11(19-2)6-12(20-15)17(22)23)5-10-13(21)7-14(18(24)25)26-16(8)10/h5-7H,3-4H2,1-2H3,(H,19,20)(H,22,23)(H,24,25)
InChIKey
RMPRGCBYQSAAAZ-UHFFFAOYSA-N
Compound name
6-(methylamino)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

274
Patents

356.10083 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10811 179.9
[M+Na]+ 379.09005 190.0
[M-H]- 355.09355 183.4
[M+NH4]+ 374.13465 190.8
[M+K]+ 395.06399 187.3
[M+H-H2O]+ 339.09809 171.7
[M+HCOO]- 401.09903 197.5
[M+CH3COO]- 415.11468 217.0
[M+Na-2H]- 377.07550 184.6
[M]+ 356.10028 186.3
[M]- 356.10138 186.3
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.