CID 460499

Chembl356040

Structural Information

Molecular Formula
C19H18ClN3O2S
SMILES
CC1(CN=C(N1)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C19H18ClN3O2S/c1-19(2)11-21-18(23-19)16-17(14-10-12(20)8-9-15(14)22-16)26(24,25)13-6-4-3-5-7-13/h3-10,22H,11H2,1-2H3,(H,21,23)
InChIKey
SIOKVIYIDJFDMW-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-2-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08808 190.7
[M+Na]+ 410.07002 203.3
[M-H]- 386.07352 197.0
[M+NH4]+ 405.11462 205.5
[M+K]+ 426.04396 194.8
[M+H-H2O]+ 370.07806 184.1
[M+HCOO]- 432.07900 199.2
[M+CH3COO]- 446.09465 201.0
[M+Na-2H]- 408.05547 191.2
[M]+ 387.08025 195.0
[M]- 387.08135 195.0
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.