CID 9575065

Isonicotinic acid {2-(4-methoxy-phenoxy)-1-[(pyridin-4-ylmethylene)-amino]-ethylidene}-hydrazide

Structural Information

Molecular Formula
C21H19N5O3
SMILES
COC1=CC=C(C=C1)OC/C(=N\NC(=O)C2=CC=NC=C2)/N=CC3=CC=NC=C3
InChI
InChI=1S/C21H19N5O3/c1-28-18-2-4-19(5-3-18)29-15-20(24-14-16-6-10-22-11-7-16)25-26-21(27)17-8-12-23-13-9-17/h2-14H,15H2,1H3,(H,26,27)/b24-14?,25-20+
InChIKey
TXVAQYPAECVCPY-XAUQGCBPSA-N
Compound name
N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15608 191.0
[M+Na]+ 412.13802 194.8
[M-H]- 388.14152 199.9
[M+NH4]+ 407.18262 198.7
[M+K]+ 428.11196 191.1
[M+H-H2O]+ 372.14606 177.9
[M+HCOO]- 434.14700 216.7
[M+CH3COO]- 448.16265 228.2
[M+Na-2H]- 410.12347 197.9
[M]+ 389.14825 193.1
[M]- 389.14935 193.1
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.