CID 482055

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

Structural Information

Molecular Formula
C18H16BrN3OS
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H16BrN3OS/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
MUTRQIFDIZDAGH-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.01974 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.02702 177.3
[M+Na]+ 424.00896 187.1
[M-H]- 400.01246 188.2
[M+NH4]+ 419.05356 192.5
[M+K]+ 439.98290 173.2
[M+H-H2O]+ 384.01700 174.8
[M+HCOO]- 446.01794 195.5
[M+CH3COO]- 460.03359 189.7
[M+Na-2H]- 421.99441 180.9
[M]+ 401.01919 196.8
[M]- 401.02029 196.8
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.