CID 388503

Nsc683488

Structural Information

Molecular Formula
C13H15N3S2
SMILES
CN(C)C1=NC2=CC=CC=C2C(=S)N3C1CSC3
InChI
InChI=1S/C13H15N3S2/c1-15(2)12-11-7-18-8-16(11)13(17)9-5-3-4-6-10(9)14-12/h3-6,11H,7-8H2,1-2H3
InChIKey
FIFBKXOSVMXIKZ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-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

277.07074 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07802 161.8
[M+Na]+ 300.05996 169.3
[M-H]- 276.06346 166.7
[M+NH4]+ 295.10456 179.5
[M+K]+ 316.03390 168.7
[M+H-H2O]+ 260.06800 155.5
[M+HCOO]- 322.06894 170.9
[M+CH3COO]- 336.08459 172.3
[M+Na-2H]- 298.04541 161.9
[M]+ 277.07019 160.9
[M]- 277.07129 160.9
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.