CID 136238900

4-(6-amino-1,2-dihydroquinoxalin-2-ylidene)cyclohexa-2,5-dien-1-one

Structural Information

Molecular Formula

C₁₄H₁₁N₃O

SMILES

C1=CC(=CC=C1C2=CN=C3C=C(C=CC3=N2)N)O

InChI

InChI=1S/C14H11N3O/c15-10-3-6-12-13(7-10)16-8-14(17-12)9-1-4-11(18)5-2-9/h1-8,18H,15H2

InChIKey

KFZNGKLDHDYDQS-UHFFFAOYSA-N

Compound name

4-(6-aminoquinoxalin-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.09021 Da
Monoisotopic Mass: 1.8
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]+	238.097486	152.5
[M+Na]+	260.079428	162.1
[M-H]-	236.082934	156.3
[M+NH4]+	255.124033	167.4
[M+K]+	276.053368	156.2
[M+H-H2O]+	220.087470	143.7
[M+HCOO]-	282.088411	173.1
[M+CH3COO]-	296.104061	164.3
[M+Na-2H]-	258.064876	160.8
[M]+	237.08966142	150.5
[M]-	237.09075858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe