CID 58606

L 1467

Structural Information

Molecular Formula

C₁₀H₁₀N₄OS

SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(S2)N

InChI

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

InChIKey

LOHRBKOASHZMJB-UHFFFAOYSA-N

Compound name

N-[4-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.05753 Da
Monoisotopic Mass: 0.9
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	149.2
[M+Na]+	257.04675	158.2
[M-H]-	233.05025	154.0
[M+NH4]+	252.09135	166.1
[M+K]+	273.02069	154.1
[M+H-H2O]+	217.05479	141.3
[M+HCOO]-	279.05573	168.9
[M+CH3COO]-	293.07138	191.9
[M+Na-2H]-	255.03220	151.4
[M]+	234.05698	149.5
[M]-	234.05808	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe