CID 5503

Tolazamide

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2

InChI

InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)

InChIKey

OUDSBRTVNLOZBN-UHFFFAOYSA-N

Compound name

1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 240
References: 32772
Patents: 311.13037 Da
Monoisotopic Mass: 1.5
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]+	312.13765	172.3
[M+Na]+	334.11959	178.4
[M+NH4]+	329.16419	177.3
[M+K]+	350.09353	173.7
[M-H]-	310.12309	173.9
[M+Na-2H]-	332.10504	176.7
[M]+	311.12982	173.6
[M]-	311.13092	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe