CID 475653

Chembl301449

Structural Information

Molecular Formula
C20H19Cl2NO3S
SMILES
CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H19Cl2NO3S/c1-13(2)14-3-6-17(7-4-14)27(25,26)23-10-9-15(12-23)20(24)18-8-5-16(21)11-19(18)22/h3-13,20,24H,1-2H3
InChIKey
CRZNRDNUROLRLM-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-[1-(4-propan-2-ylphenyl)sulfonylpyrrol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.04626 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.05354 194.2
[M+Na]+ 446.03548 203.6
[M-H]- 422.03898 202.1
[M+NH4]+ 441.08008 206.3
[M+K]+ 462.00942 196.4
[M+H-H2O]+ 406.04352 188.0
[M+HCOO]- 468.04446 198.9
[M+CH3COO]- 482.06011 218.5
[M+Na-2H]- 444.02093 191.2
[M]+ 423.04571 201.0
[M]- 423.04681 201.0
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.