CID 90486690

1,2-bis(3-trifluoromethylphenylureido)propane

Structural Information

Molecular Formula
C19H18F6N4O2
SMILES
CC(CNC(=O)NC1=CC=CC(=C1)C(F)(F)F)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C19H18F6N4O2/c1-11(27-17(31)29-15-7-3-5-13(9-15)19(23,24)25)10-26-16(30)28-14-6-2-4-12(8-14)18(20,21)22/h2-9,11H,10H2,1H3,(H2,26,28,30)(H2,27,29,31)
InChIKey
OHFLVUHLQDXKDF-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-3-[1-[[3-(trifluoromethyl)phenyl]carbamoylamino]propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1334 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14068 189.5
[M+Na]+ 471.12262 191.2
[M+NH4]+ 466.16722 189.4
[M+K]+ 487.09656 188.9
[M-H]- 447.12612 184.4
[M+Na-2H]- 469.10807 190.3
[M]+ 448.13285 187.6
[M]- 448.13395 187.6
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

No patent data available for this compound.