CID 6063283

Nsc622658

Structural Information

Molecular Formula
C6H9N3S4
SMILES
CN1/C(=N/C(=S)N(C)C)/SSC1=S
InChI
InChI=1S/C6H9N3S4/c1-8(2)4(10)7-5-9(3)6(11)13-12-5/h1-3H3/b7-5-
InChIKey
ZRRMDDHTHVEELU-ALCCZGGFSA-N
Compound name
(3Z)-1,1-dimethyl-3-(4-methyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.96793 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97521 152.5
[M+Na]+ 273.95715 162.3
[M-H]- 249.96065 155.9
[M+NH4]+ 269.00175 170.5
[M+K]+ 289.93109 154.5
[M+H-H2O]+ 233.96519 145.8
[M+HCOO]- 295.96613 155.9
[M+CH3COO]- 309.98178 199.5
[M+Na-2H]- 271.94260 150.7
[M]+ 250.96738 151.9
[M]- 250.96848 151.9
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.