CID 115033

Viridicatol

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C(=C(C(=O)N2)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C15H11NO3/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)16-15(19)14(13)18/h1-8,17-18H,(H,16,19)

InChIKey

QIJIOTTYIGBOQA-UHFFFAOYSA-N

Compound name

3-hydroxy-4-(3-hydroxyphenyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 5
Patents: 253.0739 Da
Monoisotopic Mass: 2.0
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]+	254.081176	154.4
[M+Na]+	276.063118	164.4
[M-H]-	252.066624	157.8
[M+NH4]+	271.107723	169.3
[M+K]+	292.037058	158.1
[M+H-H2O]+	236.071160	147.0
[M+HCOO]-	298.072101	173.1
[M+CH3COO]-	312.087751	166.1
[M+Na-2H]-	274.048566	160.9
[M]+	253.07335142	152.8
[M]-	253.07444858	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe