CID 3005214

Nsc683493

Structural Information

Molecular Formula
C11H11ClN4S2
SMILES
C1C2C(=NC3=C(C=C(C=C3)Cl)C(=S)N2CS1)NN
InChI
InChI=1S/C11H11ClN4S2/c12-6-1-2-8-7(3-6)11(17)16-5-18-4-9(16)10(14-8)15-13/h1-3,9H,4-5,13H2,(H,14,15)
InChIKey
HATWQKDDHAGOLG-UHFFFAOYSA-N
Compound name
8-chloro-4-hydrazinyl-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

298.01135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01863 163.8
[M+Na]+ 321.00057 173.0
[M-H]- 297.00407 167.1
[M+NH4]+ 316.04517 180.6
[M+K]+ 336.97451 170.5
[M+H-H2O]+ 281.00861 157.7
[M+HCOO]- 343.00955 169.1
[M+CH3COO]- 357.02520 173.8
[M+Na-2H]- 318.98602 164.5
[M]+ 298.01080 161.6
[M]- 298.01190 161.6
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.