CID 3039837

Brn 0553638

Structural Information

Molecular Formula
C9H7Cl2N5S
SMILES
C1CN=C(N1)NC2=C(C=C(C3=NSN=C23)Cl)Cl
InChI
InChI=1S/C9H7Cl2N5S/c10-4-3-5(11)7-8(16-17-15-7)6(4)14-9-12-1-2-13-9/h3H,1-2H2,(H2,12,13,14)
InChIKey
CYEMNKXJFGQDDB-UHFFFAOYSA-N
Compound name
5,7-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.97992 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98720 157.5
[M+Na]+ 309.96914 170.7
[M-H]- 285.97264 159.7
[M+NH4]+ 305.01374 174.0
[M+K]+ 325.94308 163.9
[M+H-H2O]+ 269.97718 150.4
[M+HCOO]- 331.97812 164.5
[M+CH3COO]- 345.99377 169.1
[M+Na-2H]- 307.95459 158.8
[M]+ 286.97937 161.1
[M]- 286.98047 161.1
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