CID 10357912

Azacridone a

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₃

SMILES

CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CN=C4)C)O)C

InChI

InChI=1S/C18H16N2O3/c1-18(2)6-4-11-14(23-18)8-13(21)15-16(11)20(3)12-9-19-7-5-10(12)17(15)22/h4-9,21H,1-3H3

InChIKey

GSYTWFSUSXURDO-UHFFFAOYSA-N

Compound name

6-hydroxy-3,3,12-trimethylchromeno[5,6-b][1,7]naphthyridin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.1161 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.123376	172.0
[M+Na]+	331.105318	185.7
[M-H]-	307.108824	176.6
[M+NH4]+	326.149923	188.0
[M+K]+	347.079258	180.9
[M+H-H2O]+	291.113360	162.5
[M+HCOO]-	353.114301	188.0
[M+CH3COO]-	367.129951	184.1
[M+Na-2H]-	329.090766	181.1
[M]+	308.11555142	177.1
[M]-	308.11664858	177.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.