CID 12988207

N-acetyltizanidine

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 161.8
[M+Na]+ 318.01867 174.9
[M+NH4]+ 313.06327 169.4
[M+K]+ 333.99261 170.3
[M-H]- 294.02217 163.8
[M+Na-2H]- 316.00412 167.6
[M]+ 295.02890 164.8
[M]- 295.03000 164.8
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