CID 3000599

(5-phenyl-2,3-dihydro-1,2,4-thiadiazol-3-yl)thiourea

Structural Information

Molecular Formula
C9H10N4S2
SMILES
C1=CC=C(C=C1)C2=NC(NS2)NC(=S)N
InChI
InChI=1S/C9H10N4S2/c10-8(14)12-9-11-7(15-13-9)6-4-2-1-3-5-6/h1-5,9,13H,(H3,10,12,14)
InChIKey
YESUDQFLGUFYEU-UHFFFAOYSA-N
Compound name
(5-phenyl-2,3-dihydro-1,2,4-thiadiazol-3-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03468 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04196 146.4
[M+Na]+ 261.02390 154.2
[M-H]- 237.02740 148.7
[M+NH4]+ 256.06850 162.5
[M+K]+ 276.99784 147.7
[M+H-H2O]+ 221.03194 139.5
[M+HCOO]- 283.03288 157.7
[M+CH3COO]- 297.04853 157.1
[M+Na-2H]- 259.00935 146.8
[M]+ 238.03413 142.5
[M]- 238.03523 142.5
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.