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]+ 358.156136 183.9
[M+Na]+ 380.138078 188.1
[M-H]- 356.141584 189.9
[M+NH4]+ 375.182683 195.8
[M+K]+ 396.112018 184.6
[M+H-H2O]+ 340.146120 173.1
[M+HCOO]- 402.147061 209.2
[M+CH3COO]- 416.162711 223.2
[M+Na-2H]- 378.123526 186.5
[M]+ 357.14831142 184.7
[M]- 357.14940858 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.