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]+ 340.132546 176.0
[M+Na]+ 362.114488 180.6
[M-H]- 338.117994 180.7
[M+NH4]+ 357.159093 191.8
[M+K]+ 378.088428 177.3
[M+H-H2O]+ 322.122530 170.2
[M+HCOO]- 384.123471 190.2
[M+CH3COO]- 398.139121 206.1
[M+Na-2H]- 360.099936 176.7
[M]+ 339.12472142 174.9
[M]- 339.12581858 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

literature stripe

Patent stripe

patents stripe