CID 478243

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

Structural Information

Molecular Formula
C18H14F6N4O
SMILES
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H14F6N4O/c19-17(20,21)11-7-12(18(22,23)24)9-14(8-11)28-16(29)27-13-3-1-2-10(6-13)15-25-4-5-26-15/h1-3,6-9H,4-5H2,(H,25,26)(H2,27,28,29)
InChIKey
BEBFCKCVSHCDNV-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

416.10718 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11446 189.0
[M+Na]+ 439.09640 195.9
[M-H]- 415.09990 187.7
[M+NH4]+ 434.14100 196.8
[M+K]+ 455.07034 188.5
[M+H-H2O]+ 399.10444 174.9
[M+HCOO]- 461.10538 200.4
[M+CH3COO]- 475.12103 223.1
[M+Na-2H]- 437.08185 189.9
[M]+ 416.10663 177.6
[M]- 416.10773 177.6
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