CID 1491279

143212-83-3

Structural Information

Molecular Formula

C₉H₁₂N₆OS

SMILES

CN(C)C(=O)CSC1=NC(=CC2=NC=NN21)N

InChI

InChI=1S/C9H12N6OS/c1-14(2)8(16)4-17-9-13-6(10)3-7-11-5-12-15(7)9/h3,5H,4,10H2,1-2H3

InChIKey

BEBCRPBNYSSXNT-UHFFFAOYSA-N

Compound name

2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.07933 Da
Monoisotopic Mass: 0.1
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]+	253.086606	153.4
[M+Na]+	275.068548	164.1
[M-H]-	251.072054	155.0
[M+NH4]+	270.113153	169.0
[M+K]+	291.042488	161.1
[M+H-H2O]+	235.076590	145.2
[M+HCOO]-	297.077531	171.1
[M+CH3COO]-	311.093181	199.6
[M+Na-2H]-	273.053996	157.2
[M]+	252.07878142	158.4
[M]-	252.07987858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.