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 153.9
[M+Na]+ 289.98739 167.2
[M-H]- 265.99089 157.1
[M+NH4]+ 285.03199 170.8
[M+K]+ 305.96133 161.1
[M+H-H2O]+ 249.99543 146.9
[M+HCOO]- 311.99637 166.7
[M+CH3COO]- 326.01202 166.4
[M+Na-2H]- 287.97284 156.3
[M]+ 266.99762 157.6
[M]- 266.99872 157.6
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.