CID 15147975

207307-88-8

Structural Information

Molecular Formula

C₁₀H₁₀N₄S

SMILES

C=CCNC1=NN=C(S1)C2=CC=CC=N2

InChI

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

InChIKey

RUVOGSNRSFNCQS-UHFFFAOYSA-N

Compound name

N-prop-2-enyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.06262 Da
Monoisotopic Mass: 2.0
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	145.2
[M+Na]+	241.05184	154.9
[M-H]-	217.05534	148.6
[M+NH4]+	236.09644	161.9
[M+K]+	257.02578	150.0
[M+H-H2O]+	201.05988	136.7
[M+HCOO]-	263.06082	164.1
[M+CH3COO]-	277.07647	157.7
[M+Na-2H]-	239.03729	149.2
[M]+	218.06207	146.5
[M]-	218.06317	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.