CID 4638790

N-(4-benzyloxybenzylidene)-2-trifluoromethylaniline

Structural Information

Molecular Formula
C21H16F3NO
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C21H16F3NO/c22-21(23,24)19-8-4-5-9-20(19)25-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14H,15H2
InChIKey
SVKKDJPGYCKAJV-UHFFFAOYSA-N
Compound name
1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1184 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12568 182.9
[M+Na]+ 378.10762 190.2
[M-H]- 354.11112 189.5
[M+NH4]+ 373.15222 195.4
[M+K]+ 394.08156 183.7
[M+H-H2O]+ 338.11566 170.3
[M+HCOO]- 400.11660 204.0
[M+CH3COO]- 414.13225 216.9
[M+Na-2H]- 376.09307 187.5
[M]+ 355.11785 180.3
[M]- 355.11895 180.3
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.