CID 1109059

1,1'-(1,3-phenylene)bis(3-(3-(trifluoromethyl)phenyl)urea)

Structural Information

Molecular Formula
C22H16F6N4O2
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H16F6N4O2/c23-21(24,25)13-4-1-6-15(10-13)29-19(33)31-17-8-3-9-18(12-17)32-20(34)30-16-7-2-5-14(11-16)22(26,27)28/h1-12H,(H2,29,31,33)(H2,30,32,34)
InChIKey
CCXXIGJVJZBRKN-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-3-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

482.11774 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.12502 194.2
[M+Na]+ 505.10696 197.7
[M+NH4]+ 500.15156 194.6
[M+K]+ 521.08090 194.3
[M-H]- 481.11046 191.0
[M+Na-2H]- 503.09241 197.2
[M]+ 482.11719 193.2
[M]- 482.11829 193.2
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