CID 5272265

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

Structural Information

Molecular Formula
C15H13N5OS
SMILES
C1=CC=NC(=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C15H13N5OS/c16-14-19-12(9-22-14)10-4-6-11(7-5-10)18-15(21)20-13-3-1-2-8-17-13/h1-9H,(H2,16,19)(H2,17,18,20,21)
InChIKey
PMNHYLYTMLAIGF-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-pyridin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08408 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09136 166.9
[M+Na]+ 334.07330 174.3
[M-H]- 310.07680 174.5
[M+NH4]+ 329.11790 179.9
[M+K]+ 350.04724 168.4
[M+H-H2O]+ 294.08134 157.5
[M+HCOO]- 356.08228 187.5
[M+CH3COO]- 370.09793 177.7
[M+Na-2H]- 332.05875 170.5
[M]+ 311.08353 165.8
[M]- 311.08463 165.8
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.