CID 464836

173908-52-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S

SMILES

CNC1=CC=CC=C1S(=O)(=O)N2C=CC=C2

InChI

InChI=1S/C11H12N2O2S/c1-12-10-6-2-3-7-11(10)16(14,15)13-8-4-5-9-13/h2-9,12H,1H3

InChIKey

SUSNCEMJLZMJHG-UHFFFAOYSA-N

Compound name

N-methyl-2-pyrrol-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 236.06195 Da
Monoisotopic Mass: 2.4
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]+	237.069226	150.6
[M+Na]+	259.051168	159.9
[M-H]-	235.054674	156.9
[M+NH4]+	254.095773	169.1
[M+K]+	275.025108	156.0
[M+H-H2O]+	219.059210	143.8
[M+HCOO]-	281.060151	170.7
[M+CH3COO]-	295.075801	188.1
[M+Na-2H]-	257.036616	155.1
[M]+	236.06140142	152.9
[M]-	236.06249858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe