CID 213325

26165-69-5

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂S

SMILES

CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C12H14N2O2S/c1-9-3-4-10(2)14(9)11-5-7-12(8-6-11)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)

InChIKey

STHWURXTZRCILS-UHFFFAOYSA-N

Compound name

4-(2,5-dimethylpyrrol-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 250.0776 Da
Monoisotopic Mass: 1.7
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]+	251.08488	155.1
[M+Na]+	273.06682	165.6
[M-H]-	249.07032	161.4
[M+NH4]+	268.11142	173.4
[M+K]+	289.04076	161.1
[M+H-H2O]+	233.07486	148.7
[M+HCOO]-	295.07580	174.1
[M+CH3COO]-	309.09145	192.9
[M+Na-2H]-	271.05227	156.8
[M]+	250.07705	157.5
[M]-	250.07815	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe