CID 12988207

1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone

Structural Information

Molecular Formula
C11H10ClN5OS
SMILES
CC(=O)N1CCN=C1NC2=C(C=CC3=NSN=C32)Cl
InChI
InChI=1S/C11H10ClN5OS/c1-6(18)17-5-4-13-11(17)14-9-7(12)2-3-8-10(9)16-19-15-8/h2-3H,4-5H2,1H3,(H,13,14)
InChIKey
NBGDKTHDTLEUQJ-UHFFFAOYSA-N
Compound name
1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

295.02945 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03673 163.4
[M+Na]+ 318.01867 175.9
[M-H]- 294.02217 167.8
[M+NH4]+ 313.06327 179.9
[M+K]+ 333.99261 170.7
[M+H-H2O]+ 278.02671 155.9
[M+HCOO]- 340.02765 175.9
[M+CH3COO]- 354.04330 175.5
[M+Na-2H]- 316.00412 164.1
[M]+ 295.02890 168.9
[M]- 295.03000 168.9
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