CID 475668

Chembl58994

Structural Information

Molecular Formula
C20H16ClN3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C20H16ClN3O2S/c21-18-8-6-16(7-9-18)20(23-13-11-22-15-23)17-10-12-24(14-17)27(25,26)19-4-2-1-3-5-19/h1-15,20H
InChIKey
WMBBQLXZMKJJOL-UHFFFAOYSA-N
Compound name
1-[[1-(benzenesulfonyl)pyrrol-3-yl]-(4-chlorophenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0652 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07248 192.9
[M+Na]+ 420.05442 204.0
[M-H]- 396.05792 203.8
[M+NH4]+ 415.09902 204.6
[M+K]+ 436.02836 196.9
[M+H-H2O]+ 380.06246 183.7
[M+HCOO]- 442.06340 205.7
[M+CH3COO]- 456.07905 203.7
[M+Na-2H]- 418.03987 192.5
[M]+ 397.06465 199.1
[M]- 397.06575 199.1
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.