CID 5272285

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

Structural Information

Molecular Formula
C18H18N4OS
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C18H18N4OS/c1-12(13-5-3-2-4-6-13)20-18(23)21-15-9-7-14(8-10-15)16-11-24-17(19)22-16/h2-12H,1H3,(H2,19,22)(H2,20,21,23)/t12-/m0/s1
InChIKey
YLUOZFQFSHSHJN-LBPRGKRZSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-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 177.2
[M+Na]+ 361.10934 182.8
[M-H]- 337.11284 185.6
[M+NH4]+ 356.15394 190.3
[M+K]+ 377.08328 177.1
[M+H-H2O]+ 321.11738 168.1
[M+HCOO]- 383.11832 197.0
[M+CH3COO]- 397.13397 187.2
[M+Na-2H]- 359.09479 178.1
[M]+ 338.11957 176.1
[M]- 338.12067 176.1
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.