CID 46386062

3-[1-(benzenesulfonyl)-2,3-dihydro-1h-indol-6-yl]-1-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C21H18ClN3O3S
SMILES
C1CN(C2=C1C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H18ClN3O3S/c22-16-7-10-17(11-8-16)23-21(26)24-18-9-6-15-12-13-25(20(15)14-18)29(27,28)19-4-2-1-3-5-19/h1-11,14H,12-13H2,(H2,23,24,26)
InChIKey
ROFWRKXRVDVDJP-UHFFFAOYSA-N
Compound name
1-[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.07574 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08302 198.0
[M+Na]+ 450.06496 205.7
[M-H]- 426.06846 207.6
[M+NH4]+ 445.10956 209.8
[M+K]+ 466.03890 198.7
[M+H-H2O]+ 410.07300 190.1
[M+HCOO]- 472.07394 210.4
[M+CH3COO]- 486.08959 207.3
[M+Na-2H]- 448.05041 201.2
[M]+ 427.07519 201.3
[M]- 427.07629 201.3
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.