CID 47608

Endralazine

Structural Information

Molecular Formula

C₁₄H₁₅N₅O

SMILES

C1CN(CC2=CC(=NN=C21)NN)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H15N5O/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10/h1-5,8H,6-7,9,15H2,(H,16,18)

InChIKey

ALAXZYHFVBSJKZ-UHFFFAOYSA-N

Compound name

(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 58
References: 2214
Patents: 269.12766 Da
Monoisotopic Mass: 0.4
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]+	270.13494	160.8
[M+Na]+	292.11688	166.9
[M-H]-	268.12038	163.4
[M+NH4]+	287.16148	172.7
[M+K]+	308.09082	162.0
[M+H-H2O]+	252.12492	150.4
[M+HCOO]-	314.12586	178.9
[M+CH3COO]-	328.14151	170.4
[M+Na-2H]-	290.10233	167.9
[M]+	269.12711	155.8
[M]-	269.12821	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe