CID 45054559

4-ethoxy-n-(2-(2-(3-fluorobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H18FN3O3
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)F
InChI
InChI=1S/C18H18FN3O3/c1-2-25-16-8-6-14(7-9-16)18(24)20-12-17(23)22-21-11-13-4-3-5-15(19)10-13/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+
InChIKey
GDFGOEJAGMVDFY-SRZZPIQSSA-N
Compound name
4-ethoxy-N-[2-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14048 179.4
[M+Na]+ 366.12242 184.0
[M-H]- 342.12592 185.6
[M+NH4]+ 361.16702 191.9
[M+K]+ 382.09636 180.8
[M+H-H2O]+ 326.13046 168.8
[M+HCOO]- 388.13140 205.0
[M+CH3COO]- 402.14705 220.2
[M+Na-2H]- 364.10787 182.5
[M]+ 343.13265 179.8
[M]- 343.13375 179.8
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.