CID 8281

Sulfadicramide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃S

SMILES

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

InChI

InChI=1S/C11H14N2O3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3,(H,13,14)

InChIKey

XRVJPLDTMUSSDE-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonyl-3-methylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 1897
Patents: 254.07251 Da
Monoisotopic Mass: 0.5
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]+	255.079786	155.6
[M+Na]+	277.061728	161.9
[M-H]-	253.065234	158.7
[M+NH4]+	272.106333	172.0
[M+K]+	293.035668	158.4
[M+H-H2O]+	237.069770	149.1
[M+HCOO]-	299.070711	173.1
[M+CH3COO]-	313.086361	195.1
[M+Na-2H]-	275.047176	157.2
[M]+	254.07196142	155.6
[M]-	254.07305858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe