CID 478240

[((2-hydroxy-3-morpholin-4-ylpropyl){n-[4-(trifluoromethyl)phenyl]carbamoyl}amino)amino]-n-[4-(trifluoromethyl)phenyl]carboxamide

Structural Information

Molecular Formula
C23H25F6N5O4
SMILES
C1COCCN1CC(CN(C(=O)NC2=CC=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C23H25F6N5O4/c24-22(25,26)15-1-5-17(6-2-15)30-20(36)32-34(14-19(35)13-33-9-11-38-12-10-33)21(37)31-18-7-3-16(4-8-18)23(27,28)29/h1-8,19,35H,9-14H2,(H,31,37)(H2,30,32,36)
InChIKey
QLTSDCFJVQPPDX-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.1811 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.18838 221.1
[M+Na]+ 572.17032 221.1
[M-H]- 548.17382 220.7
[M+NH4]+ 567.21492 220.8
[M+K]+ 588.14426 219.0
[M+H-H2O]+ 532.17836 205.3
[M+HCOO]- 594.17930 229.0
[M+CH3COO]- 608.19495 254.4
[M+Na-2H]- 570.15577 220.7
[M]+ 549.18055 209.5
[M]- 549.18165 209.5
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.