CID 478238

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

Structural Information

Molecular Formula
C25H16F12N4O3
SMILES
C1=CC(=CC(=C1)O)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
InChI
InChI=1S/C25H16F12N4O3/c26-22(27,28)13-5-14(23(29,30)31)8-17(7-13)38-20(43)40-41(11-12-2-1-3-19(42)4-12)21(44)39-18-9-15(24(32,33)34)6-16(10-18)25(35,36)37/h1-10,42H,11H2,(H,39,44)(H2,38,40,43)
InChIKey
RTEGZWPZCJBGNO-UHFFFAOYSA-N
Compound name
3-[3,5-bis(trifluoromethyl)phenyl]-1-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-1-[(3-hydroxyphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.1031 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.11038 238.5
[M+Na]+ 671.09232 245.0
[M-H]- 647.09582 233.9
[M+NH4]+ 666.13692 238.2
[M+K]+ 687.06626 239.4
[M+H-H2O]+ 631.10036 219.9
[M+HCOO]- 693.10130 243.1
[M+CH3COO]- 707.11695 270.2
[M+Na-2H]- 669.07777 236.6
[M]+ 648.10255 222.1
[M]- 648.10365 222.1
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.