CID 3032935

36855-78-4

Structural Information

Molecular Formula

C₁₀H₁₀N₄OS

SMILES

CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H10N4OS/c1-6-13-14-10(16-6)12-9(15)7-2-4-8(11)5-3-7/h2-5H,11H2,1H3,(H,12,14,15)

InChIKey

MUMUKRNKRCYTQB-UHFFFAOYSA-N

Compound name

4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 234.05753 Da
Monoisotopic Mass: 1.3
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]+	235.06481	149.6
[M+Na]+	257.04675	160.4
[M+NH4]+	252.09135	157.0
[M+K]+	273.02069	155.1
[M-H]-	233.05025	152.8
[M+Na-2H]-	255.03220	156.3
[M]+	234.05698	152.2
[M]-	234.05808	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe