CID 3034243

2-thioureido-4-(p-nitrophenyl)thiazole

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 154.0
[M+Na]+ 302.99810 160.6
[M-H]- 279.00160 159.1
[M+NH4]+ 298.04270 168.9
[M+K]+ 318.97204 150.6
[M+H-H2O]+ 263.00614 150.8
[M+HCOO]- 325.00708 169.5
[M+CH3COO]- 339.02273 192.6
[M+Na-2H]- 300.98355 156.9
[M]+ 280.00833 150.6
[M]- 280.00943 150.6
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.