CID 3005357

Nsc694571

Structural Information

Molecular Formula
C10H18N4O2S2
SMILES
CCOC(=O)NC(=S)NN(C)C1=NCC(S1)(C)C
InChI
InChI=1S/C10H18N4O2S2/c1-5-16-9(15)12-7(17)13-14(4)8-11-6-10(2,3)18-8/h5-6H2,1-4H3,(H2,12,13,15,17)
InChIKey
JLJRKLQSICAXDV-UHFFFAOYSA-N
Compound name
ethyl N-[[(5,5-dimethyl-4H-1,3-thiazol-2-yl)-methylamino]carbamothioyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09441 163.2
[M+Na]+ 313.07635 168.3
[M-H]- 289.07985 166.0
[M+NH4]+ 308.12095 181.5
[M+K]+ 329.05029 166.4
[M+H-H2O]+ 273.08439 156.8
[M+HCOO]- 335.08533 176.0
[M+CH3COO]- 349.10098 204.6
[M+Na-2H]- 311.06180 163.1
[M]+ 290.08658 165.7
[M]- 290.08768 165.7
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.