CID 478239

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

Structural Information

Molecular Formula
C25H23F12N5O4
SMILES
C1COCCN1CC(CN(C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C25H23F12N5O4/c26-22(27,28)13-5-14(23(29,30)31)8-17(7-13)38-20(44)40-42(12-19(43)11-41-1-3-46-4-2-41)21(45)39-18-9-15(24(32,33)34)6-16(10-18)25(35,36)37/h5-10,19,43H,1-4,11-12H2,(H,39,45)(H2,38,40,44)
InChIKey
FWXJAHMFFTXSHB-UHFFFAOYSA-N
Compound name
3-[3,5-bis(trifluoromethyl)phenyl]-1-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-1-(2-hydroxy-3-morpholin-4-ylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

685.1558 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.16308 245.7
[M+Na]+ 708.14502 248.4
[M-H]- 684.14852 239.2
[M+NH4]+ 703.18962 241.0
[M+K]+ 724.11896 245.2
[M+H-H2O]+ 668.15306 226.9
[M+HCOO]- 730.15400 243.9
[M+CH3COO]- 744.16965 275.9
[M+Na-2H]- 706.13047 242.9
[M]+ 685.15525 226.9
[M]- 685.15635 226.9
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.