CID 12354987

N-benzylaminosulfonamide

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

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

InChI

InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)

InChIKey

SYKLNLIUTCAYCR-UHFFFAOYSA-N

Compound name

(sulfamoylamino)methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1890
Patents: 186.0463 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]+	187.05358	135.8
[M+Na]+	209.03552	143.2
[M-H]-	185.03902	139.1
[M+NH4]+	204.08012	154.9
[M+K]+	225.00946	140.1
[M+H-H2O]+	169.04356	129.7
[M+HCOO]-	231.04450	156.1
[M+CH3COO]-	245.06015	181.0
[M+Na-2H]-	207.02097	142.1
[M]+	186.04575	135.4
[M]-	186.04685	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe