CID 45054876

4-meo-n-(2-oxo-2-(2-(2-(trifluoromethyl)benzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C18H16F3N3O3
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C18H16F3N3O3/c1-27-14-8-6-12(7-9-14)17(26)22-11-16(25)24-23-10-13-4-2-3-5-15(13)18(19,20)21/h2-10H,11H2,1H3,(H,22,26)(H,24,25)/b23-10+
InChIKey
QQIHXHAULCQRKO-AUEPDCJTSA-N
Compound name
4-methoxy-N-[2-oxo-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.11438 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12166 183.7
[M+Na]+ 402.10360 190.3
[M+NH4]+ 397.14820 186.6
[M+K]+ 418.07754 185.7
[M-H]- 378.10710 182.5
[M+Na-2H]- 400.08905 188.2
[M]+ 379.11383 183.7
[M]- 379.11493 183.7
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.