CID 50570

Brn 0223518

Structural Information

Molecular Formula

C₁₁H₁₁N₅O

SMILES

CC(=O)NNC1=NC(=CN=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N5O/c1-8(17)14-16-11-13-10(7-12-15-11)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17)(H,13,15,16)

InChIKey

YYWAKCVNYNEBSF-UHFFFAOYSA-N

Compound name

N'-(5-phenyl-1,2,4-triazin-3-yl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 229.09636 Da
Monoisotopic Mass: 0.7
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]+	230.10364	149.9
[M+Na]+	252.08558	157.1
[M-H]-	228.08908	152.8
[M+NH4]+	247.13018	162.8
[M+K]+	268.05952	153.4
[M+H-H2O]+	212.09362	139.9
[M+HCOO]-	274.09456	172.8
[M+CH3COO]-	288.11021	193.7
[M+Na-2H]-	250.07103	159.0
[M]+	229.09581	148.4
[M]-	229.09691	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe