CID 3080451

Brn 4309578

Structural Information

Molecular Formula
C7H11N3OS
SMILES
C/C(=C\1/C(=O)NC(=S)N1)/N(C)C
InChI
InChI=1S/C7H11N3OS/c1-4(10(2)3)5-6(11)9-7(12)8-5/h1-3H3,(H2,8,9,11,12)/b5-4+
InChIKey
KDCPDZBEIPNEPY-SNAWJCMRSA-N
Compound name
(5E)-5-[1-(dimethylamino)ethylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06229 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06957 141.3
[M+Na]+ 208.05151 148.6
[M-H]- 184.05501 141.1
[M+NH4]+ 203.09611 159.9
[M+K]+ 224.02545 145.5
[M+H-H2O]+ 168.05955 135.2
[M+HCOO]- 230.06049 154.6
[M+CH3COO]- 244.07614 180.3
[M+Na-2H]- 206.03696 139.0
[M]+ 185.06174 137.7
[M]- 185.06284 137.7
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.