CID 3034243

[5-(4-nitrophenyl)-1,3-thiazol-2-yl]thiourea

Structural Information

Molecular Formula
C10H8N4O2S2
SMILES
C1=CC(=CC=C1C2=CN=C(S2)NC(=S)N)[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O2S2/c11-9(17)13-10-12-5-8(18-10)6-1-3-7(4-2-6)14(15)16/h1-5H,(H3,11,12,13,17)
InChIKey
FSSQCFNZJODDJL-UHFFFAOYSA-N
Compound name
[5-(4-nitrophenyl)-1,3-thiazol-2-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.00888 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01616 151.7
[M+Na]+ 302.99810 161.6
[M+NH4]+ 298.04270 159.3
[M+K]+ 318.97204 157.5
[M-H]- 279.00160 156.5
[M+Na-2H]- 300.98355 157.8
[M]+ 280.00833 154.9
[M]- 280.00943 154.9
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.