CID 45054817

4-((4-methylbenzyl)oxy)-n'-(2-(trifluoromethyl)benzylidene)benzohydrazide

Structural Information

Molecular Formula
C23H19F3N2O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C23H19F3N2O2/c1-16-6-8-17(9-7-16)15-30-20-12-10-18(11-13-20)22(29)28-27-14-19-4-2-3-5-21(19)23(24,25)26/h2-14H,15H2,1H3,(H,28,29)/b27-14+
InChIKey
SMXGQTFAUYXEFU-MZJWZYIUSA-N
Compound name
4-[(4-methylphenyl)methoxy]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13986 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14714 197.9
[M+Na]+ 435.12908 204.1
[M-H]- 411.13258 204.6
[M+NH4]+ 430.17368 207.8
[M+K]+ 451.10302 198.1
[M+H-H2O]+ 395.13712 184.7
[M+HCOO]- 457.13806 218.7
[M+CH3COO]- 471.15371 230.4
[M+Na-2H]- 433.11453 200.3
[M]+ 412.13931 195.7
[M]- 412.14041 195.7
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.