CID 9635830

4-methoxy-n-(2-oxo-2-(2-(4-pyridinylmethylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C16H16N4O3
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=NC=C2
InChI
InChI=1S/C16H16N4O3/c1-23-14-4-2-13(3-5-14)16(22)18-11-15(21)20-19-10-12-6-8-17-9-7-12/h2-10H,11H2,1H3,(H,18,22)(H,20,21)/b19-10+
InChIKey
LRYBUOMNCFIVHM-VXLYETTFSA-N
Compound name
4-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.129526 171.0
[M+Na]+ 335.111468 175.5
[M-H]- 311.114974 177.3
[M+NH4]+ 330.156073 183.2
[M+K]+ 351.085408 172.9
[M+H-H2O]+ 295.119510 160.7
[M+HCOO]- 357.120451 197.2
[M+CH3COO]- 371.136101 213.0
[M+Na-2H]- 333.096916 176.9
[M]+ 312.12170142 172.0
[M]- 312.12279858 172.0
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.