CID 117703516

Ka2507

Structural Information

Molecular Formula

C₁₆H₁₄N₆O₂

SMILES

C1=CC(=CC=C1CN(C2=NC=CN=C2)C3=NC=CN=C3)C(=O)NO

InChI

InChI=1S/C16H14N6O2/c23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15/h1-10,24H,11H2,(H,21,23)

InChIKey

LXHMTDHBMRZSHJ-UHFFFAOYSA-N

Compound name

4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 101
Patents: 322.11783 Da
Monoisotopic Mass: 0.3
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]+	323.125106	172.0
[M+Na]+	345.107048	177.6
[M-H]-	321.110554	176.4
[M+NH4]+	340.151653	178.8
[M+K]+	361.080988	172.8
[M+H-H2O]+	305.115090	159.6
[M+HCOO]-	367.116031	192.1
[M+CH3COO]-	381.131681	181.0
[M+Na-2H]-	343.092496	180.6
[M]+	322.11728142	170.8
[M]-	322.11837858	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe