CID 475666

Chembl294001

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
C1=CC=C(C=C1)C(C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C20H17N3O2S/c24-26(25,19-9-5-2-6-10-19)23-13-11-18(15-23)20(22-14-12-21-16-22)17-7-3-1-4-8-17/h1-16,20H
InChIKey
NNLPAUMVENVOMJ-UHFFFAOYSA-N
Compound name
1-[[1-(benzenesulfonyl)pyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10416 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 185.1
[M+Na]+ 386.09338 194.9
[M-H]- 362.09688 195.8
[M+NH4]+ 381.13798 197.1
[M+K]+ 402.06732 189.0
[M+H-H2O]+ 346.10142 175.9
[M+HCOO]- 408.10236 202.8
[M+CH3COO]- 422.11801 196.2
[M+Na-2H]- 384.07883 186.0
[M]+ 363.10361 188.8
[M]- 363.10471 188.8
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.