CID 475669

Chembl57753

Structural Information

Molecular Formula
C20H15Cl2N3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4
InChI
InChI=1S/C20H15Cl2N3O2S/c21-16-6-7-18(19(22)12-16)20(24-11-9-23-14-24)15-8-10-25(13-15)28(26,27)17-4-2-1-3-5-17/h1-14,20H
InChIKey
NNXINYCSCJUTLO-UHFFFAOYSA-N
Compound name
1-[[1-(benzenesulfonyl)pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.0262 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.03348 199.5
[M+Na]+ 454.01542 211.4
[M-H]- 430.01892 209.9
[M+NH4]+ 449.06002 210.6
[M+K]+ 469.98936 203.7
[M+H-H2O]+ 414.02346 190.4
[M+HCOO]- 476.02440 207.1
[M+CH3COO]- 490.04005 209.7
[M+Na-2H]- 452.00087 197.6
[M]+ 431.02565 207.2
[M]- 431.02675 207.2
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.