CID 9564

Carbutamide

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₃S

SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)

InChIKey

VDTNNGKXZGSZIP-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)sulfonyl-3-butylurea

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 552
References: 7578
Patents: 271.09906 Da
Monoisotopic Mass: 1.0
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]+	272.10634	159.4
[M+Na]+	294.08828	164.8
[M-H]-	270.09178	162.2
[M+NH4]+	289.13288	174.7
[M+K]+	310.06222	161.2
[M+H-H2O]+	254.09632	152.0
[M+HCOO]-	316.09726	178.6
[M+CH3COO]-	330.11291	200.4
[M+Na-2H]-	292.07373	162.7
[M]+	271.09851	159.8
[M]-	271.09961	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe