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 185.0
[M+Na]+ 402.10360 190.3
[M-H]- 378.10710 188.8
[M+NH4]+ 397.14820 196.1
[M+K]+ 418.07754 186.7
[M+H-H2O]+ 362.11164 173.2
[M+HCOO]- 424.11258 206.9
[M+CH3COO]- 438.12823 225.2
[M+Na-2H]- 400.08905 187.9
[M]+ 379.11383 182.6
[M]- 379.11493 182.6
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.