CID 125355057

125292-32-2

Structural Information

Molecular Formula
C9H6ClN5OS
SMILES
C1C(=O)NC(=N1)NC2=C(C=CC3=NSN=C32)Cl
InChI
InChI=1S/C9H6ClN5OS/c10-4-1-2-5-8(15-17-14-5)7(4)13-9-11-3-6(16)12-9/h1-2H,3H2,(H2,11,12,13,16)
InChIKey
UAPHNYZODWBPMU-UHFFFAOYSA-N
Compound name
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1,4-dihydroimidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.99817 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00545 153.3
[M+Na]+ 289.98739 166.5
[M+NH4]+ 285.03199 160.9
[M+K]+ 305.96133 161.9
[M-H]- 265.99089 155.0
[M+Na-2H]- 287.97284 159.2
[M]+ 266.99762 156.1
[M]- 266.99872 156.1
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

No patent data available for this compound.