CID 5272279

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

Structural Information

Molecular Formula
C17H16N4OS
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C17H16N4OS/c18-16-21-15(11-23-16)13-6-8-14(9-7-13)20-17(22)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,18,21)(H2,19,20,22)
InChIKey
WSVVGTROPZGRGR-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-benzylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11178 172.0
[M+Na]+ 347.09372 178.5
[M-H]- 323.09722 180.5
[M+NH4]+ 342.13832 185.7
[M+K]+ 363.06766 172.3
[M+H-H2O]+ 307.10176 163.0
[M+HCOO]- 369.10270 193.2
[M+CH3COO]- 383.11835 182.6
[M+Na-2H]- 345.07917 174.5
[M]+ 324.10395 171.1
[M]- 324.10505 171.1
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.