CID 135442871

Nsc683492

Structural Information

Molecular Formula
C15H20N4S2
SMILES
CN(C)CCN=C1C2CSCN2C(=S)C3=CC=CC=C3N1
InChI
InChI=1S/C15H20N4S2/c1-18(2)8-7-16-14-13-9-21-10-19(13)15(20)11-5-3-4-6-12(11)17-14/h3-6,13H,7-10H2,1-2H3,(H,16,17)
InChIKey
MXJYUEKPJBHDJO-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[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

320.11295 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12023 173.8
[M+Na]+ 343.10217 178.8
[M-H]- 319.10567 177.7
[M+NH4]+ 338.14677 189.2
[M+K]+ 359.07611 177.4
[M+H-H2O]+ 303.11021 166.4
[M+HCOO]- 365.11115 181.8
[M+CH3COO]- 379.12680 182.4
[M+Na-2H]- 341.08762 173.2
[M]+ 320.11240 170.9
[M]- 320.11350 170.9
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

No patent data available for this compound.