CID 3087981

Brn 5025317

Structural Information

Molecular Formula

C₁₀H₁₁N₃OS

SMILES

CC1=NN2C(=O)C3=C(CCCC3)N=C2S1

InChI

InChI=1S/C10H11N3OS/c1-6-12-13-9(14)7-4-2-3-5-8(7)11-10(13)15-6/h2-5H2,1H3

InChIKey

HGEKKZLUEPYLJK-UHFFFAOYSA-N

Compound name

2-methyl-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.06229 Da
Monoisotopic Mass: 1.4
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]+	222.06957	145.6
[M+Na]+	244.05151	160.0
[M+NH4]+	239.09611	154.9
[M+K]+	260.02545	152.6
[M-H]-	220.05501	147.4
[M+Na-2H]-	242.03696	150.7
[M]+	221.06174	148.7
[M]-	221.06284	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.