CID 478253

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

Structural Information

Molecular Formula
C14H10F6N4O
SMILES
C1=CC=NC(=C1)NNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H10F6N4O/c15-13(16,17)8-5-9(14(18,19)20)7-10(6-8)22-12(25)24-23-11-3-1-2-4-21-11/h1-7H,(H,21,23)(H2,22,24,25)
InChIKey
MEAQCTHZEAIXKU-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-3-(pyridin-2-ylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07587 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08315 175.0
[M+Na]+ 387.06509 182.4
[M-H]- 363.06859 173.0
[M+NH4]+ 382.10969 185.0
[M+K]+ 403.03903 177.0
[M+H-H2O]+ 347.07313 161.4
[M+HCOO]- 409.07407 190.8
[M+CH3COO]- 423.08972 218.8
[M+Na-2H]- 385.05054 180.0
[M]+ 364.07532 165.0
[M]- 364.07642 165.0
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.