CID 9607399

769142-45-2

Structural Information

Molecular Formula
C19H20FN3O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C19H20FN3O3/c1-2-11-26-17-9-5-15(6-10-17)19(25)21-13-18(24)23-22-12-14-3-7-16(20)8-4-14/h3-10,12H,2,11,13H2,1H3,(H,21,25)(H,23,24)/b22-12+
InChIKey
DQUKJHHNBYSBBI-WSDLNYQXSA-N
Compound name
N-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14886 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15614 183.9
[M+Na]+ 380.13808 188.1
[M-H]- 356.14158 189.9
[M+NH4]+ 375.18268 195.8
[M+K]+ 396.11202 184.6
[M+H-H2O]+ 340.14612 173.1
[M+HCOO]- 402.14706 209.2
[M+CH3COO]- 416.16271 223.2
[M+Na-2H]- 378.12353 186.5
[M]+ 357.14831 184.7
[M]- 357.14941 184.7
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.