CID 2802477

{[1-(thiophen-2-yl)ethylidene]amino}thiourea

Structural Information

Molecular Formula
C7H9N3S2
SMILES
CC(=NNC(=S)N)C1=CC=CS1
InChI
InChI=1S/C7H9N3S2/c1-5(9-10-7(8)11)6-3-2-4-12-6/h2-4H,1H3,(H3,8,10,11)
InChIKey
PJVHAJJEMJNPHN-UHFFFAOYSA-N
Compound name
(1-thiophen-2-ylethylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

20
Patents

199.02379 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03107 141.4
[M+Na]+ 222.01301 148.0
[M-H]- 198.01651 145.6
[M+NH4]+ 217.05761 162.2
[M+K]+ 237.98695 144.2
[M+H-H2O]+ 182.02105 134.5
[M+HCOO]- 244.02199 157.6
[M+CH3COO]- 258.03764 189.1
[M+Na-2H]- 219.99846 141.4
[M]+ 199.02324 140.1
[M]- 199.02434 140.1
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