CID 9634115

N-(2-(2-(1,3-benzodioxol-5-ylmethylene)hydrazino)-2-oxoethyl)-4-fluorobenzamide

Structural Information

Molecular Formula
C17H14FN3O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FN3O4/c18-13-4-2-12(3-5-13)17(23)19-9-16(22)21-20-8-11-1-6-14-15(7-11)25-10-24-14/h1-8H,9-10H2,(H,19,23)(H,21,22)/b20-8+
InChIKey
SOHWMCVVWWZQRK-DNTJNYDQSA-N
Compound name
N-[2-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10411 178.0
[M+Na]+ 366.08605 183.4
[M-H]- 342.08955 186.7
[M+NH4]+ 361.13065 190.5
[M+K]+ 382.05999 182.4
[M+H-H2O]+ 326.09409 168.7
[M+HCOO]- 388.09503 201.4
[M+CH3COO]- 402.11068 217.9
[M+Na-2H]- 364.07150 183.0
[M]+ 343.09628 179.1
[M]- 343.09738 179.1
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.