CID 2829712

4569-76-0

Structural Information

Molecular Formula

C₁₆H₁₄N₄O₂

SMILES

CC(=O)NC1=CC2=NC3=CC=CC=C3N=C2C=C1NC(=O)C

InChI

InChI=1S/C16H14N4O2/c1-9(21)17-13-7-15-16(8-14(13)18-10(2)22)20-12-6-4-3-5-11(12)19-15/h3-8H,1-2H3,(H,17,21)(H,18,22)

InChIKey

MSGFBKVZRQHWQG-UHFFFAOYSA-N

Compound name

N-(3-acetamidophenazin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 294.11166 Da
Monoisotopic Mass: 1.0
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]+	295.11894	166.0
[M+Na]+	317.10088	175.1
[M-H]-	293.10438	169.5
[M+NH4]+	312.14548	180.3
[M+K]+	333.07482	170.5
[M+H-H2O]+	277.10892	157.0
[M+HCOO]-	339.10986	187.4
[M+CH3COO]-	353.12551	209.2
[M+Na-2H]-	315.08633	174.7
[M]+	294.11111	168.2
[M]-	294.11221	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe