CID 9575064

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

Structural Information

Molecular Formula
C21H19N5O2
SMILES
CC1=CC(=CC=C1)OC/C(=N\NC(=O)C2=CC=NC=C2)/N=CC3=CC=NC=C3
InChI
InChI=1S/C21H19N5O2/c1-16-3-2-4-19(13-16)28-15-20(24-14-17-5-9-22-10-6-17)25-26-21(27)18-7-11-23-12-8-18/h2-14H,15H2,1H3,(H,26,27)/b24-14?,25-20+
InChIKey
KXVCRXVZQASAOC-XAUQGCBPSA-N
Compound name
N-[(E)-[2-(3-methylphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15387 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16115 188.7
[M+Na]+ 396.14309 192.8
[M-H]- 372.14659 197.6
[M+NH4]+ 391.18769 197.1
[M+K]+ 412.11703 188.2
[M+H-H2O]+ 356.15113 175.8
[M+HCOO]- 418.15207 214.2
[M+CH3COO]- 432.16772 226.1
[M+Na-2H]- 394.12854 195.4
[M]+ 373.15332 189.4
[M]- 373.15442 189.4
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.