CID 265413

3900-79-6

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C

InChI

InChI=1S/C10H14N2O2S/c1-8(2)11-12-15(13,14)10-6-4-9(3)5-7-10/h4-7,12H,1-3H3

InChIKey

XJXJLURHJAVZJI-UHFFFAOYSA-N

Compound name

4-methyl-N-(propan-2-ylideneamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 226.0776 Da
Monoisotopic Mass: 1.4
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]+	227.084876	148.0
[M+Na]+	249.066818	155.5
[M-H]-	225.070324	153.4
[M+NH4]+	244.111423	166.8
[M+K]+	265.040758	153.0
[M+H-H2O]+	209.074860	141.5
[M+HCOO]-	271.075801	168.7
[M+CH3COO]-	285.091451	193.7
[M+Na-2H]-	247.052266	152.6
[M]+	226.07705142	150.6
[M]-	226.07814858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe