CID 482054

1-(4-(4-chlorophenyl)thiazol-2-yl)-3-phenethylurea

Structural Information

Molecular Formula
C18H16ClN3OS
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN3OS/c19-15-8-6-14(7-9-15)16-12-24-18(21-16)22-17(23)20-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,20,21,22,23)
InChIKey
DOECOOMDLDARED-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07025 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07753 181.7
[M+Na]+ 380.05947 189.3
[M-H]- 356.06297 190.4
[M+NH4]+ 375.10407 195.6
[M+K]+ 396.03341 181.8
[M+H-H2O]+ 340.06751 173.3
[M+HCOO]- 402.06845 197.5
[M+CH3COO]- 416.08410 192.1
[M+Na-2H]- 378.04492 183.0
[M]+ 357.06970 184.9
[M]- 357.07080 184.9
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.