CID 504235

10308-54-0

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C15H13NO3/c17-11-5-3-10(4-6-11)16-14(18)12-8-1-2-9(7-8)13(12)15(16)19/h1-6,8-9,12-13,17H,7H2

InChIKey

XOTYSWSIKRFMRI-UHFFFAOYSA-N

Compound name

4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 18
Patents: 255.08954 Da
Monoisotopic Mass: 1.5
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]+	256.096816	157.0
[M+Na]+	278.078758	167.0
[M-H]-	254.082264	163.0
[M+NH4]+	273.123363	180.3
[M+K]+	294.052698	162.5
[M+H-H2O]+	238.086800	152.8
[M+HCOO]-	300.087741	176.6
[M+CH3COO]-	314.103391	170.0
[M+Na-2H]-	276.064206	156.5
[M]+	255.08899142	157.9
[M]-	255.09008858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe