CID 475667

Chembl57602

Structural Information

Molecular Formula
C21H19N3O2S
SMILES
CC1=CC=C(C=C1)C(C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C21H19N3O2S/c1-17-7-9-18(10-8-17)21(23-14-12-22-16-23)19-11-13-24(15-19)27(25,26)20-5-3-2-4-6-20/h2-16,21H,1H3
InChIKey
FMWYGYJLXJOUPP-UHFFFAOYSA-N
Compound name
1-[[1-(benzenesulfonyl)pyrrol-3-yl]-(4-methylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1198 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12708 189.7
[M+Na]+ 400.10902 199.8
[M-H]- 376.11252 200.6
[M+NH4]+ 395.15362 201.4
[M+K]+ 416.08296 193.7
[M+H-H2O]+ 360.11706 180.6
[M+HCOO]- 422.11800 207.0
[M+CH3COO]- 436.13365 200.7
[M+Na-2H]- 398.09447 189.5
[M]+ 377.11925 194.2
[M]- 377.12035 194.2
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.