CID 385504

Nsc676753

Structural Information

Molecular Formula
C20H24F3N2O4P
SMILES
CCOP(=O)(C(C1=CC=CC=C1)N(C2=CC=C(C=C2)C)C(=O)NC(F)(F)F)OCC
InChI
InChI=1S/C20H24F3N2O4P/c1-4-28-30(27,29-5-2)18(16-9-7-6-8-10-16)25(19(26)24-20(21,22)23)17-13-11-15(3)12-14-17/h6-14,18H,4-5H2,1-3H3,(H,24,26)
InChIKey
FTDIXDZXNSKOGL-UHFFFAOYSA-N
Compound name
1-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methylphenyl)-3-(trifluoromethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.14258 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.14986 204.0
[M+Na]+ 467.13180 207.1
[M-H]- 443.13530 206.1
[M+NH4]+ 462.17640 213.0
[M+K]+ 483.10574 205.6
[M+H-H2O]+ 427.13984 190.0
[M+HCOO]- 489.14078 226.6
[M+CH3COO]- 503.15643 236.4
[M+Na-2H]- 465.11725 202.7
[M]+ 444.14203 204.6
[M]- 444.14313 204.6
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.