CID 6412524

Nsc698034

Structural Information

Molecular Formula

C₁₀H₁₀N₄S

SMILES

CC1=C(N=C(N=N1)N)/C=C/C2=CC=CS2

InChI

InChI=1S/C10H10N4S/c1-7-9(12-10(11)14-13-7)5-4-8-3-2-6-15-8/h2-6H,1H3,(H2,11,12,14)/b5-4+

InChIKey

GCQXPUXZVKWDHD-SNAWJCMRSA-N

Compound name

6-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.06262 Da
Monoisotopic Mass: 1.3
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]+	219.06990	146.3
[M+Na]+	241.05184	157.0
[M-H]-	217.05534	149.7
[M+NH4]+	236.09644	163.1
[M+K]+	257.02578	151.7
[M+H-H2O]+	201.05988	138.2
[M+HCOO]-	263.06082	164.6
[M+CH3COO]-	277.07647	158.9
[M+Na-2H]-	239.03729	148.5
[M]+	218.06207	147.0
[M]-	218.06317	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.