CID 3498373

N-(4-methyl-3-nitrophenyl)-n'-(3-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C15H12F3N3O3
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C15H12F3N3O3/c1-9-5-6-12(8-13(9)21(23)24)20-14(22)19-11-4-2-3-10(7-11)15(16,17)18/h2-8H,1H3,(H2,19,20,22)
InChIKey
FBVJBQQHWDBHNV-UHFFFAOYSA-N
Compound name
1-(4-methyl-3-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

339.08307 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09035 164.6
[M+Na]+ 362.07229 173.6
[M+NH4]+ 357.11689 168.8
[M+K]+ 378.04623 171.7
[M-H]- 338.07579 165.0
[M+Na-2H]- 360.05774 170.1
[M]+ 339.08252 165.5
[M]- 339.08362 165.5
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