CID 9578696

2-propanone, 1-(3-(trifluoromethyl)phenyl)-, o-(3,4,5-trimethoxybenzoyl)oxime

Structural Information

Molecular Formula
C20H20F3NO5
SMILES
C/C(=N\OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)/CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H20F3NO5/c1-12(8-13-6-5-7-15(9-13)20(21,22)23)24-29-19(25)14-10-16(26-2)18(28-4)17(11-14)27-3/h5-7,9-11H,8H2,1-4H3/b24-12+
InChIKey
IJJWZPPQNCLSQQ-WYMPLXKRSA-N
Compound name
[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.12936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13664 193.5
[M+Na]+ 434.11858 200.8
[M-H]- 410.12208 197.8
[M+NH4]+ 429.16318 204.5
[M+K]+ 450.09252 198.8
[M+H-H2O]+ 394.12662 182.0
[M+HCOO]- 456.12756 212.8
[M+CH3COO]- 470.14321 229.0
[M+Na-2H]- 432.10403 193.3
[M]+ 411.12881 197.7
[M]- 411.12991 197.7
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.