CID 5469195

Nsc684330

Structural Information

Molecular Formula
C8H6N2OS2
SMILES
C1=CSC(=C1)/C=C\2/C(=O)NC(=S)N2
InChI
InChI=1S/C8H6N2OS2/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4-
InChIKey
BHMMWVDJRGROOU-XQRVVYSFSA-N
Compound name
(5Z)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

209.99216 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99944 144.8
[M+Na]+ 232.98138 155.2
[M-H]- 208.98488 147.1
[M+NH4]+ 228.02598 164.4
[M+K]+ 248.95532 149.0
[M+H-H2O]+ 192.98942 140.0
[M+HCOO]- 254.99036 154.9
[M+CH3COO]- 269.00601 156.7
[M+Na-2H]- 230.96683 141.0
[M]+ 209.99161 142.0
[M]- 209.99271 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe