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
2
Annotation Hits

4
References

278
Patents

356.10083 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.108106 179.9
[M+Na]+ 379.090048 190.0
[M-H]- 355.093554 183.4
[M+NH4]+ 374.134653 190.8
[M+K]+ 395.063988 187.3
[M+H-H2O]+ 339.098090 171.7
[M+HCOO]- 401.099031 197.5
[M+CH3COO]- 415.114681 217.0
[M+Na-2H]- 377.075496 184.6
[M]+ 356.10028142 186.3
[M]- 356.10137858 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

literature stripe

Patent stripe

patents stripe