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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 150.6
[M+Na]+ 259.05117 159.9
[M-H]- 235.05467 156.9
[M+NH4]+ 254.09577 169.1
[M+K]+ 275.02511 156.0
[M+H-H2O]+ 219.05921 143.8
[M+HCOO]- 281.06015 170.7
[M+CH3COO]- 295.07580 188.1
[M+Na-2H]- 257.03662 155.1
[M]+ 236.06140 152.9
[M]- 236.06250 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.