CID 478227

1-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(trifluoromethyl)phenyl]carbamoylamino]urea

Structural Information

Molecular Formula
C17H11F9N4O2
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H11F9N4O2/c18-15(19,20)8-5-9(16(21,22)23)7-10(6-8)27-13(31)29-30-14(32)28-12-4-2-1-3-11(12)17(24,25)26/h1-7H,(H2,27,29,31)(H2,28,30,32)
InChIKey
QZIXIHNDWZMNQD-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(trifluoromethyl)phenyl]carbamoylamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.07382 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.08110 197.7
[M+Na]+ 497.06304 204.6
[M-H]- 473.06654 193.5
[M+NH4]+ 492.10764 204.4
[M+K]+ 513.03698 199.4
[M+H-H2O]+ 457.07108 182.4
[M+HCOO]- 519.07202 209.3
[M+CH3COO]- 533.08767 239.6
[M+Na-2H]- 495.04849 199.2
[M]+ 474.07327 183.3
[M]- 474.07437 183.3
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.