CID 3032472

Aziprotryne

Structural Information

Molecular Formula

C₇H₁₁N₇S

SMILES

CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]

InChI

InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)

InChIKey

AFIIBUOYKYSPKB-UHFFFAOYSA-N

Compound name

4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 4637
Patents: 225.07967 Da
Monoisotopic Mass: 3.7
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]+	226.08695	143.4
[M+Na]+	248.06889	151.0
[M-H]-	224.07239	146.4
[M+NH4]+	243.11349	158.1
[M+K]+	264.04283	143.6
[M+H-H2O]+	208.07693	138.7
[M+HCOO]-	270.07787	165.9
[M+CH3COO]-	284.09352	195.1
[M+Na-2H]-	246.05434	152.1
[M]+	225.07912	142.5
[M]-	225.08022	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe