CID 5339676

Ccg-8830

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=CC=C(C=C1)OCC(=O)N/N=C\C2=CC=NC=C2
InChI
InChI=1S/C15H15N3O2/c1-12-2-4-14(5-3-12)20-11-15(19)18-17-10-13-6-8-16-9-7-13/h2-10H,11H2,1H3,(H,18,19)/b17-10-
InChIKey
WAPVBNMWZLBBNI-YVLHZVERSA-N
Compound name
2-(4-methylphenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 161.0
[M+Na]+ 292.10564 167.0
[M-H]- 268.10914 167.5
[M+NH4]+ 287.15024 175.6
[M+K]+ 308.07958 163.9
[M+H-H2O]+ 252.11368 151.4
[M+HCOO]- 314.11462 187.1
[M+CH3COO]- 328.13027 203.2
[M+Na-2H]- 290.09109 168.1
[M]+ 269.11587 162.4
[M]- 269.11697 162.4
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.