CID 44410

Anitrazafen

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₂

SMILES

CC1=NC(=C(N=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N3O2/c1-12-19-17(13-4-8-15(22-2)9-5-13)18(21-20-12)14-6-10-16(23-3)11-7-14/h4-11H,1-3H3

InChIKey

HDNJXZZJFPCFHG-UHFFFAOYSA-N

Compound name

5,6-bis(4-methoxyphenyl)-3-methyl-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4246
Patents: 307.13208 Da
Monoisotopic Mass: 2.9
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]+	308.139356	174.1
[M+Na]+	330.121298	183.7
[M-H]-	306.124804	180.3
[M+NH4]+	325.165903	184.6
[M+K]+	346.095238	178.4
[M+H-H2O]+	290.129340	162.5
[M+HCOO]-	352.130281	194.4
[M+CH3COO]-	366.145931	185.1
[M+Na-2H]-	328.106746	179.4
[M]+	307.13153142	177.4
[M]-	307.13262858	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe