CID 5272272

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

Structural Information

Molecular Formula
C18H18N4OS
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C18H18N4OS/c19-17-22-16(12-24-17)14-6-8-15(9-7-14)21-18(23)20-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,19,22)(H2,20,21,23)
InChIKey
QGSJXPZNXCQAJN-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12740 176.2
[M+Na]+ 361.10934 182.2
[M-H]- 337.11284 184.4
[M+NH4]+ 356.15394 189.3
[M+K]+ 377.08328 175.8
[M+H-H2O]+ 321.11738 166.9
[M+HCOO]- 383.11832 197.0
[M+CH3COO]- 397.13397 186.3
[M+Na-2H]- 359.09479 178.2
[M]+ 338.11957 175.6
[M]- 338.12067 175.6
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.