CID 29771151

3-(3-aminophenyl)-1-[3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C14H12F3N3O
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)N)C(F)(F)F
InChI
InChI=1S/C14H12F3N3O/c15-14(16,17)9-3-1-5-11(7-9)19-13(21)20-12-6-2-4-10(18)8-12/h1-8H,18H2,(H2,19,20,21)
InChIKey
ANGWGZLLJSBSHH-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.09326 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10054 162.7
[M+Na]+ 318.08248 169.4
[M-H]- 294.08598 165.3
[M+NH4]+ 313.12708 176.8
[M+K]+ 334.05642 164.7
[M+H-H2O]+ 278.09052 152.3
[M+HCOO]- 340.09146 184.1
[M+CH3COO]- 354.10711 207.4
[M+Na-2H]- 316.06793 167.2
[M]+ 295.09271 155.5
[M]- 295.09381 155.5
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