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]+ 313.12953 171.0
[M+Na]+ 335.11147 175.5
[M-H]- 311.11497 177.3
[M+NH4]+ 330.15607 183.2
[M+K]+ 351.08541 172.9
[M+H-H2O]+ 295.11951 160.7
[M+HCOO]- 357.12045 197.2
[M+CH3COO]- 371.13610 213.0
[M+Na-2H]- 333.09692 176.9
[M]+ 312.12170 172.0
[M]- 312.12280 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.