CID 478244

1-[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C17H15F3N4O
SMILES
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H15F3N4O/c18-17(19,20)12-4-2-6-14(10-12)24-16(25)23-13-5-1-3-11(9-13)15-21-7-8-22-15/h1-6,9-10H,7-8H2,(H,21,22)(H2,23,24,25)
InChIKey
IHNVEPOVSHXYGI-UHFFFAOYSA-N
Compound name
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

348.11978 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12706 175.7
[M+Na]+ 371.10900 181.5
[M-H]- 347.11250 177.7
[M+NH4]+ 366.15360 186.0
[M+K]+ 387.08294 174.9
[M+H-H2O]+ 331.11704 163.5
[M+HCOO]- 393.11798 192.3
[M+CH3COO]- 407.13363 210.9
[M+Na-2H]- 369.09445 178.5
[M]+ 348.11923 167.5
[M]- 348.12033 167.5
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

patents stripe