CID 5272277

1-[4-(2-aminothiazol-4-yl)phenyl]-3-thiazol-2-yl-urea

Structural Information

Molecular Formula
C13H11N5OS2
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)NC(=O)NC3=NC=CS3
InChI
InChI=1S/C13H11N5OS2/c14-11-17-10(7-21-11)8-1-3-9(4-2-8)16-12(19)18-13-15-5-6-20-13/h1-7H,(H2,14,17)(H2,15,16,18,19)
InChIKey
ZDRIMMLAZJLWAI-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0405 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04778 165.2
[M+Na]+ 340.02972 175.4
[M-H]- 316.03322 173.7
[M+NH4]+ 335.07432 180.7
[M+K]+ 356.00366 169.0
[M+H-H2O]+ 300.03776 157.8
[M+HCOO]- 362.03870 183.4
[M+CH3COO]- 376.05435 177.0
[M+Na-2H]- 338.01517 166.7
[M]+ 317.03995 167.2
[M]- 317.04105 167.2
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.