CID 5272283

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

Structural Information

Molecular Formula
C18H17FN4OS
SMILES
C1=CC(=CC=C1CCNC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)F
InChI
InChI=1S/C18H17FN4OS/c19-14-5-1-12(2-6-14)9-10-21-18(24)22-15-7-3-13(4-8-15)16-11-25-17(20)23-16/h1-8,11H,9-10H2,(H2,20,23)(H2,21,22,24)
InChIKey
CTVYOKPENVQJNJ-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11072 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11800 179.1
[M+Na]+ 379.09994 186.0
[M-H]- 355.10344 186.3
[M+NH4]+ 374.14454 191.8
[M+K]+ 395.07388 179.2
[M+H-H2O]+ 339.10798 169.1
[M+HCOO]- 401.10892 198.9
[M+CH3COO]- 415.12457 189.0
[M+Na-2H]- 377.08539 179.8
[M]+ 356.11017 178.0
[M]- 356.11127 178.0
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.