CID 3080450

Brn 4310367

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CN(C)/C=C\1/C(=O)NC(=S)N1
InChI
InChI=1S/C6H9N3OS/c1-9(2)3-4-5(10)8-6(11)7-4/h3H,1-2H3,(H2,7,8,10,11)/b4-3-
InChIKey
CDUAFWFRAZFSIC-ARJAWSKDSA-N
Compound name
(5Z)-5-(dimethylaminomethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04663 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05391 136.7
[M+Na]+ 194.03585 144.8
[M-H]- 170.03935 136.7
[M+NH4]+ 189.08045 156.0
[M+K]+ 210.00979 141.4
[M+H-H2O]+ 154.04389 130.7
[M+HCOO]- 216.04483 151.4
[M+CH3COO]- 230.06048 176.4
[M+Na-2H]- 192.02130 136.0
[M]+ 171.04608 133.5
[M]- 171.04718 133.5
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.