CID 192219

87368-00-1

Structural Information

Molecular Formula
C15H21N3O4S
SMILES
C1CC2CN(CC2C1)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)CO
InChI
InChI=1S/C15H21N3O4S/c19-10-11-4-6-14(7-5-11)23(21,22)17-15(20)16-18-8-12-2-1-3-13(12)9-18/h4-7,12-13,19H,1-3,8-10H2,(H2,16,17,20)
InChIKey
IHCHVBQHVIUSTM-UHFFFAOYSA-N
Compound name
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-[4-(hydroxymethyl)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

339.12527 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13255 176.0
[M+Na]+ 362.11449 180.6
[M-H]- 338.11799 180.7
[M+NH4]+ 357.15909 191.8
[M+K]+ 378.08843 177.3
[M+H-H2O]+ 322.12253 170.2
[M+HCOO]- 384.12347 190.2
[M+CH3COO]- 398.13912 206.1
[M+Na-2H]- 360.09994 176.7
[M]+ 339.12472 174.9
[M]- 339.12582 174.9
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.