CID 10354098

Propazolamide

Structural Information

Molecular Formula

C₅H₈N₄O₃S₂

SMILES

CCC(=O)NC1=NN=C(S1)S(=O)(=O)N

InChI

InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)

InChIKey

PCBBBQKRWNGNDW-UHFFFAOYSA-N

Compound name

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 79
Patents: 236.00378 Da
Monoisotopic Mass: 0.2
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]+	237.01106	147.8
[M+Na]+	258.99300	156.6
[M-H]-	234.99650	148.7
[M+NH4]+	254.03760	164.3
[M+K]+	274.96694	152.9
[M+H-H2O]+	219.00104	141.2
[M+HCOO]-	281.00198	160.5
[M+CH3COO]-	295.01763	187.9
[M+Na-2H]-	256.97845	149.4
[M]+	236.00323	149.4
[M]-	236.00433	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe