CID 5272270

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

Structural Information

Molecular Formula
C17H24N4OS
SMILES
CCCC(CCC)NC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C17H24N4OS/c1-3-5-13(6-4-2)19-17(22)20-14-9-7-12(8-10-14)15-11-23-16(18)21-15/h7-11,13H,3-6H2,1-2H3,(H2,18,21)(H2,19,20,22)
InChIKey
ZXHNSWCODHEWTO-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-heptan-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.16708 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17436 179.3
[M+Na]+ 355.15630 183.8
[M-H]- 331.15980 184.0
[M+NH4]+ 350.20090 193.0
[M+K]+ 371.13024 178.9
[M+H-H2O]+ 315.16434 170.4
[M+HCOO]- 377.16528 197.7
[M+CH3COO]- 391.18093 215.5
[M+Na-2H]- 353.14175 177.8
[M]+ 332.16653 180.0
[M]- 332.16763 180.0
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.