CID 5272261

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

Structural Information

Molecular Formula
C14H18N4OS
SMILES
CCCCNC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C14H18N4OS/c1-2-3-8-16-14(19)17-11-6-4-10(5-7-11)12-9-20-13(15)18-12/h4-7,9H,2-3,8H2,1H3,(H2,15,18)(H2,16,17,19)
InChIKey
PTFLGGAXYMMSLA-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-butylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12740 165.4
[M+Na]+ 313.10934 171.7
[M-H]- 289.11284 170.7
[M+NH4]+ 308.15394 181.0
[M+K]+ 329.08328 166.8
[M+H-H2O]+ 273.11738 157.0
[M+HCOO]- 335.11832 186.0
[M+CH3COO]- 349.13397 205.7
[M+Na-2H]- 311.09479 166.5
[M]+ 290.11957 165.8
[M]- 290.12067 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.