CID 45054552

N-(2-(2-(3-fluorobenzylidene)hydrazino)-2-oxoethyl)-2-methylbenzamide

Structural Information

Molecular Formula
C17H16FN3O2
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C17H16FN3O2/c1-12-5-2-3-8-15(12)17(23)19-11-16(22)21-20-10-13-6-4-7-14(18)9-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKey
RQRZLGVGKKHYEM-KEBDBYFISA-N
Compound name
N-[2-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12993 172.2
[M+Na]+ 336.11187 177.5
[M-H]- 312.11537 178.7
[M+NH4]+ 331.15647 186.1
[M+K]+ 352.08581 173.8
[M+H-H2O]+ 296.11991 162.1
[M+HCOO]- 358.12085 198.0
[M+CH3COO]- 372.13650 215.0
[M+Na-2H]- 334.09732 175.8
[M]+ 313.12210 170.9
[M]- 313.12320 170.9
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.