CID 135537325

Chembl4081809

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CCOC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H15N3O3/c1-2-21-13-5-3-4-12(14(13)19)10-17-18-15(20)11-6-8-16-9-7-11/h3-10,19H,2H2,1H3,(H,18,20)/b17-10+
InChIKey
GIFOPBUVHUUYQO-LICLKQGHSA-N
Compound name
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

285.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.2
[M+Na]+ 308.10055 170.6
[M-H]- 284.10405 169.7
[M+NH4]+ 303.14515 177.7
[M+K]+ 324.07449 167.3
[M+H-H2O]+ 268.10859 154.9
[M+HCOO]- 330.10953 189.0
[M+CH3COO]- 344.12518 204.1
[M+Na-2H]- 306.08600 170.1
[M]+ 285.11078 165.5
[M]- 285.11188 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe