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 197.7
[M+Na]+ 471.12262 201.7
[M-H]- 447.12612 196.2
[M+NH4]+ 466.16722 205.0
[M+K]+ 487.09656 197.2
[M+H-H2O]+ 431.13066 183.9
[M+HCOO]- 493.13160 212.5
[M+CH3COO]- 507.14725 237.9
[M+Na-2H]- 469.10807 198.3
[M]+ 448.13285 187.5
[M]- 448.13395 187.5
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

No patent data available for this compound.