CID 5272271

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12740 167.4
[M+Na]+ 313.10934 174.0
[M-H]- 289.11284 173.0
[M+NH4]+ 308.15394 183.1
[M+K]+ 329.08328 169.7
[M+H-H2O]+ 273.11738 159.7
[M+HCOO]- 335.11832 186.3
[M+CH3COO]- 349.13397 205.4
[M+Na-2H]- 311.09479 169.3
[M]+ 290.11957 167.1
[M]- 290.12067 167.1
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.