CID 478254

Chembl15723

Structural Information

Molecular Formula
C13H13F6N3O2
SMILES
C1COCCN1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C13H13F6N3O2/c14-12(15,16)8-5-9(13(17,18)19)7-10(6-8)20-11(23)21-22-1-3-24-4-2-22/h5-7H,1-4H2,(H2,20,21,23)
InChIKey
ZMXNDHMEZPELEG-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-3-morpholin-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.0912 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09848 176.1
[M+Na]+ 380.08042 181.8
[M-H]- 356.08392 173.7
[M+NH4]+ 375.12502 185.2
[M+K]+ 396.05436 178.7
[M+H-H2O]+ 340.08846 162.9
[M+HCOO]- 402.08940 186.3
[M+CH3COO]- 416.10505 214.1
[M+Na-2H]- 378.06587 178.9
[M]+ 357.09065 164.1
[M]- 357.09175 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.