CID 3005216

Nsc683500

Structural Information

Molecular Formula
C11H10ClN3OS2
SMILES
C1C2C(=NC3=C(C=CC(=C3)Cl)C(=S)N2CS1)NO
InChI
InChI=1S/C11H10ClN3OS2/c12-6-1-2-7-8(3-6)13-10(14-16)9-4-18-5-15(9)11(7)17/h1-3,9,16H,4-5H2,(H,13,14)
InChIKey
OTVDFGXYQQCOJW-UHFFFAOYSA-N
Compound name
7-chloro-4-(hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.9954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.00268 162.9
[M+Na]+ 321.98462 172.2
[M-H]- 297.98812 165.6
[M+NH4]+ 317.02922 179.6
[M+K]+ 337.95856 169.8
[M+H-H2O]+ 281.99266 157.6
[M+HCOO]- 343.99360 166.8
[M+CH3COO]- 358.00925 172.9
[M+Na-2H]- 319.97007 163.6
[M]+ 298.99485 161.8
[M]- 298.99595 161.8
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

No patent data available for this compound.