CID 21150897

Ns00042288

Structural Information

Molecular Formula
C6H11N3OS3
SMILES
CSN(C(=O)N1CCNC1=S)SC
InChI
InChI=1S/C6H11N3OS3/c1-12-9(13-2)6(10)8-4-3-7-5(8)11/h3-4H2,1-2H3,(H,7,11)
InChIKey
AZRVHPGHFSMWFI-UHFFFAOYSA-N
Compound name
N,N-bis(methylsulfanyl)-2-sulfanylideneimidazolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.00642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.013696 147.8
[M+Na]+ 259.995638 155.0
[M-H]- 235.999144 147.7
[M+NH4]+ 255.040243 164.8
[M+K]+ 275.969578 150.2
[M+H-H2O]+ 220.003680 141.8
[M+HCOO]- 282.004621 151.0
[M+CH3COO]- 296.020271 189.4
[M+Na-2H]- 257.981086 144.4
[M]+ 237.00587142 146.5
[M]- 237.00696858 146.5
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.