CID 9910393

Mcc950

Structural Information

Molecular Formula
C20H24N2O5S
SMILES
CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
InChI
InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
InChIKey
HUUSXLKCTQDPGL-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

326
References

1071
Patents

404.1406 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.147876 193.9
[M+Na]+ 427.129818 199.3
[M-H]- 403.133324 202.3
[M+NH4]+ 422.174423 210.1
[M+K]+ 443.103758 197.7
[M+H-H2O]+ 387.137860 191.6
[M+HCOO]- 449.138801 207.6
[M+CH3COO]- 463.154451 220.1
[M+Na-2H]- 425.115266 196.1
[M]+ 404.14005142 197.5
[M]- 404.14114858 197.5
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.