CID 214871

S 2267

Structural Information

Molecular Formula
C15H16ClN3O4S
SMILES
C1CN(CC1C2=CC=CO2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
InChI
InChI=1S/C15H16ClN3O4S/c16-12-4-3-10(8-14(12)24(17,21)22)15(20)18-19-6-5-11(9-19)13-2-1-7-23-13/h1-4,7-8,11H,5-6,9H2,(H,18,20)(H2,17,21,22)
InChIKey
ATNKMDQAKYYZMP-UHFFFAOYSA-N
Compound name
4-chloro-N-[3-(furan-2-yl)pyrrolidin-1-yl]-3-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

369.055 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06228 184.7
[M+Na]+ 392.04422 192.4
[M-H]- 368.04772 194.5
[M+NH4]+ 387.08882 198.4
[M+K]+ 408.01816 188.6
[M+H-H2O]+ 352.05226 178.7
[M+HCOO]- 414.05320 197.4
[M+CH3COO]- 428.06885 211.5
[M+Na-2H]- 390.02967 183.8
[M]+ 369.05445 187.4
[M]- 369.05555 187.4
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

patents stripe