CID 9575061

Isonicotinic acid {2-phenoxy-1-[(pyridin-3-ylmethylene)-amino]-ethylidene}-hydrazide

Structural Information

Molecular Formula
C20H17N5O2
SMILES
C1=CC=C(C=C1)OC/C(=N\NC(=O)C2=CC=NC=C2)/N=CC3=CN=CC=C3
InChI
InChI=1S/C20H17N5O2/c26-20(17-8-11-21-12-9-17)25-24-19(15-27-18-6-2-1-3-7-18)23-14-16-5-4-10-22-13-16/h1-14H,15H2,(H,25,26)/b23-14?,24-19+
InChIKey
KNOYUSNIBWOQLM-PRVAKKCESA-N
Compound name
N-[(E)-[2-phenoxy-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1382 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14548 183.1
[M+Na]+ 382.12742 186.7
[M-H]- 358.13092 191.8
[M+NH4]+ 377.17202 191.8
[M+K]+ 398.10136 182.4
[M+H-H2O]+ 342.13546 170.3
[M+HCOO]- 404.13640 209.0
[M+CH3COO]- 418.15205 221.9
[M+Na-2H]- 380.11287 191.2
[M]+ 359.13765 183.1
[M]- 359.13875 183.1
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.