CID 179436

24814-29-7

Structural Information

Molecular Formula

C₈H₁₄N₄OS

SMILES

CC(C)(C)C1=NN=C(S1)NC(=O)NC

InChI

InChI=1S/C8H14N4OS/c1-8(2,3)5-11-12-7(14-5)10-6(13)9-4/h1-4H3,(H2,9,10,12,13)

InChIKey

QNZVDHFCJIENKD-UHFFFAOYSA-N

Compound name

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 5
Patents: 214.08884 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]+	215.09612	149.0
[M+Na]+	237.07806	156.7
[M+NH4]+	232.12266	155.4
[M+K]+	253.05200	153.1
[M-H]-	213.08156	148.9
[M+Na-2H]-	235.06351	152.4
[M]+	214.08829	150.2
[M]-	214.08939	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe