CID 45054172

4-f-n-(2-(2-(2-methyl-3-phenyl-2-propenylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C19H18FN3O2
SMILES
C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CNC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H18FN3O2/c1-14(11-15-5-3-2-4-6-15)12-22-23-18(24)13-21-19(25)16-7-9-17(20)10-8-16/h2-12H,13H2,1H3,(H,21,25)(H,23,24)/b14-11-,22-12+
InChIKey
UXGMESYIDVJZOB-LJWIEMNISA-N
Compound name
4-fluoro-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14558 180.7
[M+Na]+ 362.12752 184.3
[M-H]- 338.13102 186.6
[M+NH4]+ 357.17212 193.1
[M+K]+ 378.10146 180.0
[M+H-H2O]+ 322.13556 170.3
[M+HCOO]- 384.13650 205.0
[M+CH3COO]- 398.15215 219.2
[M+Na-2H]- 360.11297 182.7
[M]+ 339.13775 178.3
[M]- 339.13885 178.3
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.