CID 205629

Brn 1456640

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

C1=CC=C2C(C3=C(C=CC2=C1)N=CC=C3)O

InChI

InChI=1S/C14H11NO/c16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13/h1-9,14,16H

InChIKey

BAPDYXAOEIHIHD-UHFFFAOYSA-N

Compound name

7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.08406 Da
Monoisotopic Mass: 2.2
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]+	210.09134	142.5
[M+Na]+	232.07328	151.0
[M-H]-	208.07678	147.1
[M+NH4]+	227.11788	160.7
[M+K]+	248.04722	150.2
[M+H-H2O]+	192.08132	137.4
[M+HCOO]-	254.08226	162.2
[M+CH3COO]-	268.09791	155.1
[M+Na-2H]-	230.05873	152.1
[M]+	209.08351	139.7
[M]-	209.08461	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe