CID 45054765

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

Structural Information

Molecular Formula
C18H16F3N3O2
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C18H16F3N3O2/c1-12-6-8-13(9-7-12)17(26)22-11-16(25)24-23-10-14-4-2-3-5-15(14)18(19,20)21/h2-10H,11H2,1H3,(H,22,26)(H,24,25)/b23-10+
InChIKey
MXRCYNNNJVNWQB-AUEPDCJTSA-N
Compound name
4-methyl-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

363.11948 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12676 182.3
[M+Na]+ 386.10870 187.9
[M-H]- 362.11220 186.2
[M+NH4]+ 381.15330 194.2
[M+K]+ 402.08264 183.5
[M+H-H2O]+ 346.11674 170.8
[M+HCOO]- 408.11768 204.1
[M+CH3COO]- 422.13333 223.1
[M+Na-2H]- 384.09415 185.1
[M]+ 363.11893 178.6
[M]- 363.12003 178.6
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.