CID 9575060

N-(4-{2-amino-2-[(1-pyridin-4-yl-methanoyl)-hydrazono]-ethoxy}-phenyl)-acetamide

Structural Information

Molecular Formula
C16H17N5O3
SMILES
CC(=O)NC1=CC=C(C=C1)OC/C(=N\NC(=O)C2=CC=NC=C2)/N
InChI
InChI=1S/C16H17N5O3/c1-11(22)19-13-2-4-14(5-3-13)24-10-15(17)20-21-16(23)12-6-8-18-9-7-12/h2-9H,10H2,1H3,(H2,17,20)(H,19,22)(H,21,23)
InChIKey
FVGLANAIYYJKNU-UHFFFAOYSA-N
Compound name
N-[(E)-[2-(4-acetamidophenoxy)-1-aminoethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.13315 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14043 174.5
[M+Na]+ 350.12237 177.8
[M-H]- 326.12587 180.4
[M+NH4]+ 345.16697 185.4
[M+K]+ 366.09631 175.7
[M+H-H2O]+ 310.13041 164.0
[M+HCOO]- 372.13135 200.0
[M+CH3COO]- 386.14700 218.8
[M+Na-2H]- 348.10782 178.8
[M]+ 327.13260 173.2
[M]- 327.13370 173.2
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.