CID 280616

61895-38-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC

InChI

InChI=1S/C11H10N2O3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,12H2,1-2H3

InChIKey

FKAAKWCKLUDXOB-UHFFFAOYSA-N

Compound name

7-amino-6-methoxy-2-methylquinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8
Patents: 218.06914 Da
Monoisotopic Mass: 0.8
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]+	219.07642	144.2
[M+Na]+	241.05836	155.4
[M-H]-	217.06186	148.2
[M+NH4]+	236.10296	162.8
[M+K]+	257.03230	152.4
[M+H-H2O]+	201.06640	137.7
[M+HCOO]-	263.06734	166.6
[M+CH3COO]-	277.08299	192.6
[M+Na-2H]-	239.04381	149.6
[M]+	218.06859	146.0
[M]-	218.06969	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe