CID 71583615

Unc2327

Structural Information

Molecular Formula
C14H17N5O2S
SMILES
C1CCN(CC1)C(=O)CNC(=O)NC2=CC3=C(C=C2)N=NS3
InChI
InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)
InChIKey
MYTRGTBDVGKKRO-UHFFFAOYSA-N
Compound name
1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

319.1103 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11758 168.5
[M+Na]+ 342.09952 177.6
[M+NH4]+ 337.14412 174.9
[M+K]+ 358.07346 172.6
[M-H]- 318.10302 170.7
[M+Na-2H]- 340.08497 173.8
[M]+ 319.10975 170.4
[M]- 319.11085 170.4
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