CID 45054876

767310-50-9

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.121656	185.0
[M+Na]+	402.103598	190.3
[M-H]-	378.107104	188.8
[M+NH4]+	397.148203	196.1
[M+K]+	418.077538	186.7
[M+H-H2O]+	362.111640	173.2
[M+HCOO]-	424.112581	206.9
[M+CH3COO]-	438.128231	225.2
[M+Na-2H]-	400.089046	187.9
[M]+	379.11383142	182.6
[M]-	379.11492858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.